N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

C24H20Cl2F6N2O — CID 87091650

IUPACN-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H20Cl2F6N2O/c1-2-20(35)34-18-6-4-12-7-13(3-5-15(12)18)19-10-22(11-33-19,24(30,31)32)14-8-16(23(27,28)29)21(26)17(25)9-14/h3,5,7-9,18H,2,4,6,10-11H2,1H3,(H,34,35)
InChIKeyYLDDMUWUOJSXEX-UHFFFAOYSA-N
MW537.33 g/mol
LogP7.22
Rot. Bonds4

About N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide

N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 87091650) has the molecular formula C24H20Cl2F6N2O and a molecular weight of 537.33 g/mol. Its IUPAC name is N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID87091650
Molecular FormulaC24H20Cl2F6N2O
Molecular Weight537.33 g/mol
Exact Mass536.09
IUPAC NameN-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESCCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H20Cl2F6N2O/c1-2-20(35)34-18-6-4-12-7-13(3-5-15(12)18)19-10-22(11-33-19,24(30,31)32)14-8-16(23(27,28)29)21(26)17(25)9-14/h3,5,7-9,18H,2,4,6,10-11H2,1H3,(H,34,35)
InChIKeyYLDDMUWUOJSXEX-UHFFFAOYSA-N
XLogP7.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.33
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
CID 58200066
tert-butyl {5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl}carbamate
CID 58200102
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylbutanamide
CID 58200110
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 58200163
1-{5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl}-3-ethylurea
CID 67044149
N-[5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanecarboxamide
CID 72721877
N-[5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanecarboxamide
CID 72721878
N-[[2-bromo-4-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methyl]propanamide
CID 87090886
N-[[4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 87091021
2-methylsulfanyl-N-[5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87091656
N-[5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]cyclopropanecarboxamide
CID 87091720
N-[[2-cyano-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methyl]propanamide
CID 87091722

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide (CID 87091650) is N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is CCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)c(Cl)c(C(F)(F)F)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is YLDDMUWUOJSXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F6N2O/c1-2-20(35)34-18-6-4-12-7-13(3-5-15(12)18)19-10-22(11-33-19,24(30,31)32)14-8-16(23(27,28)29)21(26)17(25)9-14/h3,5,7-9,18H,2,4,6,10-11H2,1H3,(H,34,35).
What are the key properties of N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide?
N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 537.33 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[3,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 87091650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).