N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

C24H22ClFN4O3 — CID 66882554

IUPACN-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESNC1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O3/c25-14-4-6-16(7-5-14)28-24(33)19-11-15(27)12-21(19)29-23(32)18-9-8-17(13-20(18)26)30-10-2-1-3-22(30)31/h1-10,13,15,19,21H,11-12,27H2,(H,28,33)(H,29,32)
InChIKeyIGXYMXPYSBGCMP-UHFFFAOYSA-N
MW468.92 g/mol
LogP3.10
Rot. Bonds5

About N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 66882554) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID66882554
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC NameN-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESNC1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O3/c25-14-4-6-16(7-5-14)28-24(33)19-11-15(27)12-21(19)29-23(32)18-9-8-17(13-20(18)26)30-10-2-1-3-22(30)31/h1-10,13,15,19,21H,11-12,27H2,(H,28,33)(H,29,32)
InChIKeyIGXYMXPYSBGCMP-UHFFFAOYSA-N
XLogP3.10
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882863
N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882669
N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 58641583
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882678
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
N-(2-carbamoylcyclopentyl)-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 18453005
(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(1-fluoropropan-2-yl)pyrrolidine-3,4-dicarboxamide
CID 69047032
N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 69146777
4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
trans-(1S,2S)-1-N-(4-chlorophenyl)-4-methylidene-2-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1,2-dicarboxamide
CID 11719574
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
CID 66882286
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 66882554) is N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is NC1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is IGXYMXPYSBGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c25-14-4-6-16(7-5-14)28-24(33)19-11-15(27)12-21(19)29-23(32)18-9-8-17(13-20(18)26)30-10-2-1-3-22(30)31/h1-10,13,15,19,21H,11-12,27H2,(H,28,33)(H,29,32).
What are the key properties of N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 468.92 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 66882554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).