3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide

C25H23Cl2N3O3 — CID 172841186

IUPAC3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide
SMILESCOc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H23Cl2N3O3/c1-33-21-14-20(15-28-22(21)30-23(31)16-5-4-6-19(27)13-16)29-24(32)25(11-2-3-12-25)17-7-9-18(26)10-8-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyWUVMCIICGBAKKV-UHFFFAOYSA-N
MW484.38 g/mol
LogP6.10
Rot. Bonds6

About 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide

3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide (PubChem CID 172841186) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide
PubChem CID172841186
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC Name3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide
SMILESCOc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H23Cl2N3O3/c1-33-21-14-20(15-28-22(21)30-23(31)16-5-4-6-19(27)13-16)29-24(32)25(11-2-3-12-25)17-7-9-18(26)10-8-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,29,32)(H,28,30,31)
InChIKeyWUVMCIICGBAKKV-UHFFFAOYSA-N
XLogP6.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.38
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide (CID 172841186) is 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide is COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cnc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide?
The InChIKey is WUVMCIICGBAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-33-21-14-20(15-28-22(21)30-23(31)16-5-4-6-19(27)13-16)29-24(32)25(11-2-3-12-25)17-7-9-18(26)10-8-17/h4-10,13-15H,2-3,11-12H2,1H3,(H,29,32)(H,28,30,31).
What are the key properties of 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide?
3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide has a molecular weight of 484.38 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide is sourced from PubChem (CID 172841186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).