5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide

C25H21Cl3N2O2 — CID 44530362

IUPAC5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C25H21Cl3N2O2/c26-17-5-3-16(4-6-17)25(13-1-2-14-25)24(32)30-22-12-9-19(28)15-21(22)23(31)29-20-10-7-18(27)8-11-20/h3-12,15H,1-2,13-14H2,(H,29,31)(H,30,32)
InChIKeyYUFYBRCIUMFTIG-UHFFFAOYSA-N
MW487.81 g/mol
LogP7.35
Rot. Bonds5

About 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide

5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide (PubChem CID 44530362) has the molecular formula C25H21Cl3N2O2 and a molecular weight of 487.81 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
PubChem CID44530362
Molecular FormulaC25H21Cl3N2O2
Molecular Weight487.81 g/mol
Exact Mass486.07
IUPAC Name5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C25H21Cl3N2O2/c26-17-5-3-16(4-6-17)25(13-1-2-14-25)24(32)30-22-12-9-19(28)15-21(22)23(31)29-20-10-7-18(27)8-11-20/h3-12,15H,1-2,13-14H2,(H,29,31)(H,30,32)
InChIKeyYUFYBRCIUMFTIG-UHFFFAOYSA-N
XLogP7.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.81
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
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N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
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N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide (CID 44530362) is 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide is O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide?
The InChIKey is YUFYBRCIUMFTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3N2O2/c26-17-5-3-16(4-6-17)25(13-1-2-14-25)24(32)30-22-12-9-19(28)15-21(22)23(31)29-20-10-7-18(27)8-11-20/h3-12,15H,1-2,13-14H2,(H,29,31)(H,30,32).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide?
5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide has a molecular weight of 487.81 g/mol, XLogP of 7.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide is sourced from PubChem (CID 44530362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).