1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide

C29H27Cl2FN2O — CID 69351204

IUPAC1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide
SMILESN#Cc1cccc(CC(CNC(=O)C2(c3ccc(F)cc3Cl)CCCC2)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C29H27Cl2FN2O/c30-24-8-6-20(7-9-24)14-23(16-21-4-3-5-22(15-21)18-33)19-34-28(35)29(12-1-2-13-29)26-11-10-25(32)17-27(26)31/h3-11,15,17,23H,1-2,12-14,16,19H2,(H,34,35)
InChIKeyVPIAJKVZIYIKKC-UHFFFAOYSA-N
MW509.45 g/mol
LogP7.03
Rot. Bonds8

About 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide

1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide (PubChem CID 69351204) has the molecular formula C29H27Cl2FN2O and a molecular weight of 509.45 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide
PubChem CID69351204
Molecular FormulaC29H27Cl2FN2O
Molecular Weight509.45 g/mol
Exact Mass508.15
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide
SMILESN#Cc1cccc(CC(CNC(=O)C2(c3ccc(F)cc3Cl)CCCC2)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C29H27Cl2FN2O/c30-24-8-6-20(7-9-24)14-23(16-21-4-3-5-22(15-21)18-33)19-34-28(35)29(12-1-2-13-29)26-11-10-25(32)17-27(26)31/h3-11,15,17,23H,1-2,12-14,16,19H2,(H,34,35)
InChIKeyVPIAJKVZIYIKKC-UHFFFAOYSA-N
XLogP7.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.45
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 10239467
N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(3-fluorophenyl)cyclopentanecarboxamide
CID 69352215
N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 166932086
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538190
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71875039
N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 69351119
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
N-[(3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-1-methylcyclobutane-1-carboxamide
CID 69205441
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
3-[(2S)-1-(4-chlorophenyl)-3-oxobutan-2-yl]benzonitrile
CID 93476656
[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid
CID 66823329
methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
CID 134297740

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide (CID 69351204) is 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide is N#Cc1cccc(CC(CNC(=O)C2(c3ccc(F)cc3Cl)CCCC2)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide?
The InChIKey is VPIAJKVZIYIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2FN2O/c30-24-8-6-20(7-9-24)14-23(16-21-4-3-5-22(15-21)18-33)19-34-28(35)29(12-1-2-13-29)26-11-10-25(32)17-27(26)31/h3-11,15,17,23H,1-2,12-14,16,19H2,(H,34,35).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide?
1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide has a molecular weight of 509.45 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 69351204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).