1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea

C16H16ClN3O2 — CID 779720

IUPAC1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22)
InChIKeyXYSMBPGOMKKWHZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea

1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 779720) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID779720
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22)
InChIKeyXYSMBPGOMKKWHZ-UHFFFAOYSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-(3-phenylpropanoyl)hydrazinecarboxamide
CID 730631
N-(4-chlorophenyl)-2-(cyclopropylcarbonyl)hydrazinecarboxamide
CID 831821
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide sulfate salt (12f)
CID 77014310
N-(4-chlorophenyl)-2-[2-(1-naphthyl)acetyl]-1-hydrazinecarboxamide
CID 2731999
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(2-ethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818633
N-{[(2,5-dimethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818638
N-{[N-(3-methylphenyl)carbamoyl]amino}-3-phenylpropanamide
CID 24818639
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea (CID 779720) is 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea is O=C(CCc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is XYSMBPGOMKKWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea?
1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 317.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 779720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).