1-(4-chlorophenyl)-3-(N-phenylanilino)urea

C19H16ClN3O — CID 4149546

IUPAC1-(4-chlorophenyl)-3-(N-phenylanilino)urea
SMILESO=C(Nc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-15-11-13-16(14-12-15)21-19(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H2,21,22,24)
InChIKeyNAESLOGFPLFECX-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.21
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(N-phenylanilino)urea

1-(4-chlorophenyl)-3-(N-phenylanilino)urea (PubChem CID 4149546) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(N-phenylanilino)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(N-phenylanilino)urea
PubChem CID4149546
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-(4-chlorophenyl)-3-(N-phenylanilino)urea
SMILESO=C(Nc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-15-11-13-16(14-12-15)21-19(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H2,21,22,24)
InChIKeyNAESLOGFPLFECX-UHFFFAOYSA-N
XLogP5.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chlorophenyl)-3-[4-(N-propan-2-ylanilino)phenyl]urea
CID 2359267
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
2-(4-chlorophenyl)sulfanyl-N',N'-diphenylacetohydrazide
CID 5245438
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-[(4-chlorophenyl)carbamoylamino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-phenylurea
CID 12967430
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(N-phenylanilino)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(N-phenylanilino)urea (CID 4149546) is 1-(4-chlorophenyl)-3-(N-phenylanilino)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(N-phenylanilino)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(N-phenylanilino)urea is O=C(Nc1ccc(Cl)cc1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(N-phenylanilino)urea?
The InChIKey is NAESLOGFPLFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-15-11-13-16(14-12-15)21-19(24)22-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-(N-phenylanilino)urea?
1-(4-chlorophenyl)-3-(N-phenylanilino)urea has a molecular weight of 337.81 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(N-phenylanilino)urea is sourced from PubChem (CID 4149546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).