4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide

C24H21ClFN3O3 — CID 71189210

IUPAC4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
SMILESO=C(NC1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H21ClFN3O3/c25-18-12-9-16(14-19(18)26)24(32)28-21-5-3-4-20(21)27-23(31)15-7-10-17(11-8-15)29-13-2-1-6-22(29)30/h1-2,6-14,20-21H,3-5H2,(H,27,31)(H,28,32)/t20-,21?/m0/s1
InChIKeyAIGHTKZMSWJFTI-BGERDNNASA-N
MW453.90 g/mol
LogP3.71
Rot. Bonds5

About 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide

4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide (PubChem CID 71189210) has the molecular formula C24H21ClFN3O3 and a molecular weight of 453.90 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
PubChem CID71189210
Molecular FormulaC24H21ClFN3O3
Molecular Weight453.90 g/mol
Exact Mass453.13
IUPAC Name4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
SMILESO=C(NC1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C24H21ClFN3O3/c25-18-12-9-16(14-19(18)26)24(32)28-21-5-3-4-20(21)27-23(31)15-7-10-17(11-8-15)29-13-2-1-6-22(29)30/h1-2,6-14,20-21H,3-5H2,(H,27,31)(H,28,32)/t20-,21?/m0/s1
InChIKeyAIGHTKZMSWJFTI-BGERDNNASA-N
XLogP3.71
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide (CID 71189210) is 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide is O=C(NC1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
The InChIKey is AIGHTKZMSWJFTI-BGERDNNASA-N. The full InChI is InChI=1S/C24H21ClFN3O3/c25-18-12-9-16(14-19(18)26)24(32)28-21-5-3-4-20(21)27-23(31)15-7-10-17(11-8-15)29-13-2-1-6-22(29)30/h1-2,6-14,20-21H,3-5H2,(H,27,31)(H,28,32)/t20-,21?/m0/s1.
What are the key properties of 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide?
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide has a molecular weight of 453.90 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 71189210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).