4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide

C25H24ClN3O3 — CID 142943661

IUPAC4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)N[C@@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C25H24ClN3O3/c1-16-15-18(26)10-13-20(16)25(32)28-22-6-4-5-21(22)27-24(31)17-8-11-19(12-9-17)29-14-3-2-7-23(29)30/h2-3,7-15,21-22H,4-6H2,1H3,(H,27,31)(H,28,32)/t21?,22-/m1/s1
InChIKeyBJQSEMNGLNBYSA-FOIFJWKZSA-N
MW449.94 g/mol
LogP3.88
Rot. Bonds5

About 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide

4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide (PubChem CID 142943661) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
PubChem CID142943661
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
SMILESCc1cc(Cl)ccc1C(=O)N[C@@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C25H24ClN3O3/c1-16-15-18(26)10-13-20(16)25(32)28-22-6-4-5-21(22)27-24(31)17-8-11-19(12-9-17)29-14-3-2-7-23(29)30/h2-3,7-15,21-22H,4-6H2,1H3,(H,27,31)(H,28,32)/t21?,22-/m1/s1
InChIKeyBJQSEMNGLNBYSA-FOIFJWKZSA-N
XLogP3.88
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The IUPAC name of 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide (CID 142943661) is 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide is Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCCC1NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The InChIKey is BJQSEMNGLNBYSA-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-16-15-18(26)10-13-20(16)25(32)28-22-6-4-5-21(22)27-24(31)17-8-11-19(12-9-17)29-14-3-2-7-23(29)30/h2-3,7-15,21-22H,4-6H2,1H3,(H,27,31)(H,28,32)/t21?,22-/m1/s1.
What are the key properties of 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 142943661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).