3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide

C73H58F19N5O10 — CID 159310087

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15F6NO3.C18H14F5NO3.C18H14F4N2O.C18H15F4NO3/c20-18(21,22)12-3-1-11(14(9-12)19(23,24)25)2-6-17(27)26-13-4-5-15-16(10-13)29-8-7-28-15;19-16-10(1-4-12(17(16)20)18(21,22)23)2-6-15(25)24-11-3-5-13-14(9-11)27-8-7-26-13;19-15-10-13(18(20,21)22)3-1-11(15)2-6-17(25)24-14-4-5-16-12(9-14)7-8-23-16;19-14-9-12(18(20,21)22)3-1-11(14)2-6-17(24)23-13-4-5-15-16(10-13)26-8-7-25-15/h1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25);1,3-5,9-10H,2,6-8H2,(H,23,24)
InChIKeyLCKPYRBAQUTGPS-UHFFFAOYSA-N
MW1526.25 g/mol
LogP18.48
Rot. Bonds16

About 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide

3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (PubChem CID 159310087) has the molecular formula C73H58F19N5O10 and a molecular weight of 1526.25 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
PubChem CID159310087
Molecular FormulaC73H58F19N5O10
Molecular Weight1526.25 g/mol
Exact Mass1525.39
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15F6NO3.C18H14F5NO3.C18H14F4N2O.C18H15F4NO3/c20-18(21,22)12-3-1-11(14(9-12)19(23,24)25)2-6-17(27)26-13-4-5-15-16(10-13)29-8-7-28-15;19-16-10(1-4-12(17(16)20)18(21,22)23)2-6-15(25)24-11-3-5-13-14(9-11)27-8-7-26-13;19-15-10-13(18(20,21)22)3-1-11(15)2-6-17(25)24-14-4-5-16-12(9-14)7-8-23-16;19-14-9-12(18(20,21)22)3-1-11(14)2-6-17(24)23-13-4-5-15-16(10-13)26-8-7-25-15/h1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25);1,3-5,9-10H,2,6-8H2,(H,23,24)
InChIKeyLCKPYRBAQUTGPS-UHFFFAOYSA-N
XLogP18.48
TPSA187.57 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001526.25
LogP ≤ 518.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide with MolForge

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Related Compounds

N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-(1H-indol-4-YL)propanamide
CID 53160256
N-(3,4-Dimethoxyphenyl)-3-(1H-indol-4-YL)propanamide
CID 53160278
N-[2-(3,5-difluorophenyl)-2-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 71185075
(S)-2-(5-(benzyloxy)-6-methoxy-1H-indol-3-yl)-N-(2-(3,5-difluorophenyl)-1-(3-(4-methoxyphenyl)pyridin-2-yl)ethyl)acetamide
CID 71187433
N-[2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 78024384
N-[5-(3,4-dimethoxyanilino)-1-(1H-indol-3-yl)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 88287064
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 90162387
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90773905
N-[2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(6-methoxy-5-phenylmethoxy-1H-indol-3-yl)acetamide
CID 123908790
3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;3-(6-tert-butyl-2-methyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropanamide;N-(1H-indol-6-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide
CID 157888321
3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 158669371
(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 158673947

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (CID 159310087) is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?
The InChIKey is LCKPYRBAQUTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6NO3.C18H14F5NO3.C18H14F4N2O.C18H15F4NO3/c20-18(21,22)12-3-1-11(14(9-12)19(23,24)25)2-6-17(27)26-13-4-5-15-16(10-13)29-8-7-28-15;19-16-10(1-4-12(17(16)20)18(21,22)23)2-6-15(25)24-11-3-5-13-14(9-11)27-8-7-26-13;19-15-10-13(18(20,21)22)3-1-11(15)2-6-17(25)24-14-4-5-16-12(9-14)7-8-23-16;19-14-9-12(18(20,21)22)3-1-11(14)2-6-17(24)23-13-4-5-15-16(10-13)26-8-7-25-15/h1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25);1,3-5,9-10H,2,6-8H2,(H,23,24).
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?
3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide has a molecular weight of 1526.25 g/mol, XLogP of 18.48, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 159310087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).