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

C17H16BrClN2O — CID 113215529

IUPAC1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
SMILESCc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c(Br)c1
InChIInChI=1S/C17H16BrClN2O/c1-11-2-7-15(14(18)10-11)20-16(22)21-17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,20,21,22)
InChIKeyNRTVFPJWTQOMCP-UHFFFAOYSA-N
MW379.69 g/mol
LogP5.22
Rot. Bonds3

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

1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea (PubChem CID 113215529) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
PubChem CID113215529
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
SMILESCc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c(Br)c1
InChIInChI=1S/C17H16BrClN2O/c1-11-2-7-15(14(18)10-11)20-16(22)21-17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,20,21,22)
InChIKeyNRTVFPJWTQOMCP-UHFFFAOYSA-N
XLogP5.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.69
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclopropyl]carbamoylamino]benzoate
CID 113215518
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea (CID 113215529) is 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea is Cc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea?
The InChIKey is NRTVFPJWTQOMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c1-11-2-7-15(14(18)10-11)20-16(22)21-17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea?
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea has a molecular weight of 379.69 g/mol, XLogP of 5.22, 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-[1-(4-chlorophenyl)cyclopropyl]urea is sourced from PubChem (CID 113215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).