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

C14H13ClN2O — CID 730414

IUPAC1-(4-chlorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-6-12(7-3-10)16-14(18)17-13-8-4-11(15)5-9-13/h2-9H,1H3,(H2,16,17,18)
InChIKeyKPSSOXIQJMVHAH-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.29
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(4-methylphenyl)urea (PubChem CID 730414) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylphenyl)urea
PubChem CID730414
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-6-12(7-3-10)16-14(18)17-13-8-4-11(15)5-9-13/h2-9H,1H3,(H2,16,17,18)
InChIKeyKPSSOXIQJMVHAH-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Triclocarban
CID 7547
Monuron
CID 8800
Pencycuron
CID 91692
Chlortoluron
CID 27375
4-Chlorophenylurea
CID 8796
Halocarban
CID 9719
Monomethylmonuron
CID 79309
Daimuron
CID 39238
1-(3-Chloro-4-methylphenyl)-3-methylurea
CID 30967
N-(4-Methylphenyl)urea
CID 12148
4,4'-Dichlorocarbanilide
CID 94996
N-(3-Chlorophenyl)-N'-(4-chlorophenyl)urea
CID 791964

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)urea (CID 730414) is 1-(4-chlorophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylphenyl)urea?
The InChIKey is KPSSOXIQJMVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-2-6-12(7-3-10)16-14(18)17-13-8-4-11(15)5-9-13/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylphenyl)urea?
1-(4-chlorophenyl)-3-(4-methylphenyl)urea has a molecular weight of 260.72 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 730414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).