1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea

C21H20FN3O3 — CID 50763443

IUPAC1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C21H20FN3O3/c22-13-6-5-9-15(12-13)24-21(27)25-19-18(23-14-7-1-2-8-14)16-10-3-4-11-17(16)28-20(19)26/h3-6,9-12,14,23H,1-2,7-8H2,(H2,24,25,27)
InChIKeyHNPZSMGZXVSKNX-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.93
Rot. Bonds4

About 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea

1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea (PubChem CID 50763443) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
PubChem CID50763443
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C21H20FN3O3/c22-13-6-5-9-15(12-13)24-21(27)25-19-18(23-14-7-1-2-8-14)16-10-3-4-11-17(16)28-20(19)26/h3-6,9-12,14,23H,1-2,7-8H2,(H2,24,25,27)
InChIKeyHNPZSMGZXVSKNX-UHFFFAOYSA-N
XLogP4.93
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-2-(3-fluorophenyl)acetamide
CID 50744190
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3,4-dimethoxyphenyl)urea
CID 35397241
1-(2-chlorophenyl)-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 35397259
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94069805
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-[4-(cyclohexylamino)-2-oxochromen-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 22433735
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3,4-difluorobenzenesulfonamide
CID 50778752
3-[(2-cyclopentylacetyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7159878
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 35396970
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-methoxybenzenesulfonamide
CID 50778699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea (CID 50763443) is 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1c(NC2CCCC2)c2ccccc2oc1=O.
What is the InChIKey of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea?
The InChIKey is HNPZSMGZXVSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-13-6-5-9-15(12-13)24-21(27)25-19-18(23-14-7-1-2-8-14)16-10-3-4-11-17(16)28-20(19)26/h3-6,9-12,14,23H,1-2,7-8H2,(H2,24,25,27).
What are the key properties of 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea?
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea has a molecular weight of 381.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 50763443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).