N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

C24H19ClFN3O4 — CID 66882863

IUPACN-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)[C@H](C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H19ClFN3O4/c25-14-4-6-15(7-5-14)27-24(33)19-12-17(30)13-21(19)28-23(32)18-9-8-16(11-20(18)26)29-10-2-1-3-22(29)31/h1-11,19,21H,12-13H2,(H,27,33)(H,28,32)/t19-,21+/m1/s1
InChIKeyKBURZIVZSRLHPJ-CTNGQTDRSA-N
MW467.88 g/mol
LogP3.35
Rot. Bonds5

About N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 66882863) has the molecular formula C24H19ClFN3O4 and a molecular weight of 467.88 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID66882863
Molecular FormulaC24H19ClFN3O4
Molecular Weight467.88 g/mol
Exact Mass467.10
IUPAC NameN-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)[C@H](C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H19ClFN3O4/c25-14-4-6-15(7-5-14)27-24(33)19-12-17(30)13-21(19)28-23(32)18-9-8-16(11-20(18)26)29-10-2-1-3-22(29)31/h1-11,19,21H,12-13H2,(H,27,33)(H,28,32)/t19-,21+/m1/s1
InChIKeyKBURZIVZSRLHPJ-CTNGQTDRSA-N
XLogP3.35
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 66882863) is N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is O=C1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2F)[C@H](C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is KBURZIVZSRLHPJ-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H19ClFN3O4/c25-14-4-6-15(7-5-14)27-24(33)19-12-17(30)13-21(19)28-23(32)18-9-8-16(11-20(18)26)29-10-2-1-3-22(29)31/h1-11,19,21H,12-13H2,(H,27,33)(H,28,32)/t19-,21+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 467.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 66882863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).