1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea

C14H11BrCl2N2O — CID 17299431

IUPAC1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O/c1-8-11(16)3-2-4-13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKeyVJHRLAJTIIVXDQ-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.71
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea

1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea (PubChem CID 17299431) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
PubChem CID17299431
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrCl2N2O/c1-8-11(16)3-2-4-13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKeyVJHRLAJTIIVXDQ-UHFFFAOYSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea (CID 17299431) is 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea is Cc1c(Cl)cccc1NC(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea?
The InChIKey is VJHRLAJTIIVXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-8-11(16)3-2-4-13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea?
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea has a molecular weight of 374.07 g/mol, XLogP of 5.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea is sourced from PubChem (CID 17299431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).