1-[4-(2-chloroanilino)phenyl]-3-phenylurea

C19H16ClN3O — CID 112986938

IUPAC1-[4-(2-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)21-15-10-12-16(13-11-15)23-19(24)22-14-6-2-1-3-7-14/h1-13,21H,(H2,22,23,24)
InChIKeyMIOLKTPSMNNEKE-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.73
Rot. Bonds4

About 1-[4-(2-chloroanilino)phenyl]-3-phenylurea

1-[4-(2-chloroanilino)phenyl]-3-phenylurea (PubChem CID 112986938) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[4-(2-chloroanilino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2-chloroanilino)phenyl]-3-phenylurea
PubChem CID112986938
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name1-[4-(2-chloroanilino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)21-15-10-12-16(13-11-15)23-19(24)22-14-6-2-1-3-7-14/h1-13,21H,(H2,22,23,24)
InChIKeyMIOLKTPSMNNEKE-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-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-[4-(2-chloroanilino)quinazolin-7-yl]-3-phenylurea
CID 141452331
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
1-(2-chlorophenyl)-3-[4-(difluoromethylsulfanyl)phenyl]urea
CID 4852232
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
CID 6464249

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloroanilino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(2-chloroanilino)phenyl]-3-phenylurea (CID 112986938) is 1-[4-(2-chloroanilino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2-chloroanilino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(2-chloroanilino)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chloroanilino)phenyl]-3-phenylurea?
The InChIKey is MIOLKTPSMNNEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-17-8-4-5-9-18(17)21-15-10-12-16(13-11-15)23-19(24)22-14-6-2-1-3-7-14/h1-13,21H,(H2,22,23,24).
What are the key properties of 1-[4-(2-chloroanilino)phenyl]-3-phenylurea?
1-[4-(2-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-(2-chloroanilino)phenyl]-3-phenylurea is sourced from PubChem (CID 112986938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).