1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea

C15H14BrClN2O — CID 47195659

IUPAC1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-2-7-14(13(16)8-10)19-15(20)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyKHUZRNNSJSTWQO-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea

1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea (PubChem CID 47195659) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
PubChem CID47195659
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-10-2-7-14(13(16)8-10)19-15(20)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyKHUZRNNSJSTWQO-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113000562
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-(2-bromo-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 55696398
(Z)-3-(2-bromo-4-methylanilino)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839801
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea (CID 47195659) is 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea is Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is KHUZRNNSJSTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-2-7-14(13(16)8-10)19-15(20)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea?
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 353.65 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 47195659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).