1-[4-(4-chloroanilino)phenyl]-3-phenylurea

C19H16ClN3O — CID 112987034

IUPAC1-[4-(4-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O/c20-14-6-8-16(9-7-14)21-17-10-12-18(13-11-17)23-19(24)22-15-4-2-1-3-5-15/h1-13,21H,(H2,22,23,24)
InChIKeyWSUXZGMWWMBYSO-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.73
Rot. Bonds4

About 1-[4-(4-chloroanilino)phenyl]-3-phenylurea

1-[4-(4-chloroanilino)phenyl]-3-phenylurea (PubChem CID 112987034) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[4-(4-chloroanilino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-chloroanilino)phenyl]-3-phenylurea
PubChem CID112987034
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-[4-(4-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O/c20-14-6-8-16(9-7-14)21-17-10-12-18(13-11-17)23-19(24)22-15-4-2-1-3-5-15/h1-13,21H,(H2,22,23,24)
InChIKeyWSUXZGMWWMBYSO-UHFFFAOYSA-N
XLogP5.73
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
CID 123176042
CID 123176042

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloroanilino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-chloroanilino)phenyl]-3-phenylurea (CID 112987034) is 1-[4-(4-chloroanilino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-chloroanilino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-chloroanilino)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chloroanilino)phenyl]-3-phenylurea?
The InChIKey is WSUXZGMWWMBYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-14-6-8-16(9-7-14)21-17-10-12-18(13-11-17)23-19(24)22-15-4-2-1-3-5-15/h1-13,21H,(H2,22,23,24).
What are the key properties of 1-[4-(4-chloroanilino)phenyl]-3-phenylurea?
1-[4-(4-chloroanilino)phenyl]-3-phenylurea has a molecular weight of 337.81 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloroanilino)phenyl]-3-phenylurea is sourced from PubChem (CID 112987034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).