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

C25H21ClFN3O3 — CID 66882678

IUPACN-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESC=C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H21ClFN3O3/c1-15-12-20(25(33)28-17-7-5-16(26)6-8-17)22(13-15)29-24(32)19-10-9-18(14-21(19)27)30-11-3-2-4-23(30)31/h2-11,14,20,22H,1,12-13H2,(H,28,33)(H,29,32)
InChIKeyJADOSCZTBMBVJB-UHFFFAOYSA-N
MW465.91 g/mol
LogP4.33
Rot. Bonds5

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

N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 66882678) has the molecular formula C25H21ClFN3O3 and a molecular weight of 465.91 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID66882678
Molecular FormulaC25H21ClFN3O3
Molecular Weight465.91 g/mol
Exact Mass465.13
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESC=C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H21ClFN3O3/c1-15-12-20(25(33)28-17-7-5-16(26)6-8-17)22(13-15)29-24(32)19-10-9-18(14-21(19)27)30-11-3-2-4-23(30)31/h2-11,14,20,22H,1,12-13H2,(H,28,33)(H,29,32)
InChIKeyJADOSCZTBMBVJB-UHFFFAOYSA-N
XLogP4.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.91
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882554
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
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
(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
cis-(2S,3R)-3-N-(4-chlorophenyl)-1-N-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-methylcyclopropane-1,2,3-tricarboxamide
CID 143223851
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 66882678) is N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is C=C1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2F)C(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is JADOSCZTBMBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O3/c1-15-12-20(25(33)28-17-7-5-16(26)6-8-17)22(13-15)29-24(32)19-10-9-18(14-21(19)27)30-11-3-2-4-23(30)31/h2-11,14,20,22H,1,12-13H2,(H,28,33)(H,29,32).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 465.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 66882678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).