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

C19H16ClN3O — CID 112986987

IUPAC1-[4-(3-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-14-5-4-8-18(13-14)21-16-9-11-17(12-10-16)23-19(24)22-15-6-2-1-3-7-15/h1-13,21H,(H2,22,23,24)
InChIKeyBKQMLFPRPLTNPM-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.73
Rot. Bonds4

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

1-[4-(3-chloroanilino)phenyl]-3-phenylurea (PubChem CID 112986987) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[4-(3-chloroanilino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3-chloroanilino)phenyl]-3-phenylurea
PubChem CID112986987
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-[4-(3-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-14-5-4-8-18(13-14)21-16-9-11-17(12-10-16)23-19(24)22-15-6-2-1-3-7-15/h1-13,21H,(H2,22,23,24)
InChIKeyBKQMLFPRPLTNPM-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

Analyze 1-[4-(3-chloroanilino)phenyl]-3-phenylurea 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-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
CID 168763640
CID 168763640
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloroanilino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(3-chloroanilino)phenyl]-3-phenylurea (CID 112986987) is 1-[4-(3-chloroanilino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3-chloroanilino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(3-chloroanilino)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chloroanilino)phenyl]-3-phenylurea?
The InChIKey is BKQMLFPRPLTNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-14-5-4-8-18(13-14)21-16-9-11-17(12-10-16)23-19(24)22-15-6-2-1-3-7-15/h1-13,21H,(H2,22,23,24).
What are the key properties of 1-[4-(3-chloroanilino)phenyl]-3-phenylurea?
1-[4-(3-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-(3-chloroanilino)phenyl]-3-phenylurea is sourced from PubChem (CID 112986987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).