7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

C33H23F7N4O3 — CID 159326193

IUPAC7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12
InChIInChI=1S/C17H12F4N2O2.C16H11F3N2O/c1-8-12-6-10(18)7-13(15(12)23-14(8)16(22)24)9-2-4-11(5-3-9)25-17(19,20)21;1-7-11-4-9(18)5-12(15(11)21-14(7)16(20)22)10-3-2-8(17)6-13(10)19/h2-7,23H,1H3,(H2,22,24);2-6,21H,1H3,(H2,20,22)
InChIKeyLEJWGVCPRSEORZ-UHFFFAOYSA-N
MW656.56 g/mol
LogP7.94
Rot. Bonds5

About 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (PubChem CID 159326193) has the molecular formula C33H23F7N4O3 and a molecular weight of 656.56 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
PubChem CID159326193
Molecular FormulaC33H23F7N4O3
Molecular Weight656.56 g/mol
Exact Mass656.17
IUPAC Name7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12
InChIInChI=1S/C17H12F4N2O2.C16H11F3N2O/c1-8-12-6-10(18)7-13(15(12)23-14(8)16(22)24)9-2-4-11(5-3-9)25-17(19,20)21;1-7-11-4-9(18)5-12(15(11)21-14(7)16(20)22)10-3-2-8(17)6-13(10)19/h2-7,23H,1H3,(H2,22,24);2-6,21H,1H3,(H2,20,22)
InChIKeyLEJWGVCPRSEORZ-UHFFFAOYSA-N
XLogP7.94
TPSA126.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.56
LogP ≤ 57.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-Fluoro-6-(4-methoxy-phenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90680747
1H-Indole-2-carboxylic acid [3,3-bis-(4-methoxy-phenyl)-allyl]-amide
CID 44265970
N-(2,6-dimethylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 168280074
N-(2,6-dimethylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 168296562
N-(2,6-dimethylphenyl)-1-[2-(3-methoxyphenyl)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 168288794
5-(4-fluoro-3-methylphenyl)-N-(4-methoxybenzyl)-1h-indole-2-carboxamide
CID 129834218
1-(4-methoxyphenyl)-2,2-bis(2-methyl-1H-indol-3-yl)ethanone
CID 1020492
5-Fluoro-N'-[(1Z)-5-[3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-YL]-2-methylcyclohex-2-EN-1-ylidene]-1H-indole-2-carbohydrazide
CID 16762767
3-phenyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 10159306
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 11576719
5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014368

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (CID 159326193) is 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is Cc1c(C(N)=O)[nH]c2c(-c3ccc(F)cc3F)cc(F)cc12.Cc1c(C(N)=O)[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12.
What is the InChIKey of 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The InChIKey is LEJWGVCPRSEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2.C16H11F3N2O/c1-8-12-6-10(18)7-13(15(12)23-14(8)16(22)24)9-2-4-11(5-3-9)25-17(19,20)21;1-7-11-4-9(18)5-12(15(11)21-14(7)16(20)22)10-3-2-8(17)6-13(10)19/h2-7,23H,1H3,(H2,22,24);2-6,21H,1H3,(H2,20,22).
What are the key properties of 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide has a molecular weight of 656.56 g/mol, XLogP of 7.94, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide;5-fluoro-3-methyl-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159326193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).