N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide

C22H21FN2O3 — CID 50744190

IUPACN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C22H21FN2O3/c23-15-7-5-6-14(12-15)13-19(26)25-21-20(24-16-8-1-2-9-16)17-10-3-4-11-18(17)28-22(21)27/h3-7,10-12,16,24H,1-2,8-9,13H2,(H,25,26)
InChIKeyCZWAXNCRDLSKSZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide

N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 50744190) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID50744190
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C22H21FN2O3/c23-15-7-5-6-14(12-15)13-19(26)25-21-20(24-16-8-1-2-9-16)17-10-3-4-11-18(17)28-22(21)27/h3-7,10-12,16,24H,1-2,8-9,13H2,(H,25,26)
InChIKeyCZWAXNCRDLSKSZ-UHFFFAOYSA-N
XLogP4.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3,4-difluorobenzenesulfonamide
CID 50778752
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
1-(2-chloro-4-methylphenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397238
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113010094
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2-methoxyphenyl)urea
CID 35396859
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778823

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide (CID 50744190) is N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O.
What is the InChIKey of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is CZWAXNCRDLSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-15-7-5-6-14(12-15)13-19(26)25-21-20(24-16-8-1-2-9-16)17-10-3-4-11-18(17)28-22(21)27/h3-7,10-12,16,24H,1-2,8-9,13H2,(H,25,26).
What are the key properties of N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide?
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 50744190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).