1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea

C15H14BrClN2O3 — CID 108869311

IUPAC1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H14BrClN2O3/c1-21-13-8-12(14(22-2)7-11(13)17)19-15(20)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJPGZWKJBVAGQSP-UHFFFAOYSA-N
MW385.65 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea

1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (PubChem CID 108869311) has the molecular formula C15H14BrClN2O3 and a molecular weight of 385.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
PubChem CID108869311
Molecular FormulaC15H14BrClN2O3
Molecular Weight385.65 g/mol
Exact Mass383.99
IUPAC Name1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C15H14BrClN2O3/c1-21-13-8-12(14(22-2)7-11(13)17)19-15(20)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyJPGZWKJBVAGQSP-UHFFFAOYSA-N
XLogP4.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
(Z)-N-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyanilino)-2-cyanoprop-2-enamide
CID 108815962
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (CID 108869311) is 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Br)cc2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The InChIKey is JPGZWKJBVAGQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O3/c1-21-13-8-12(14(22-2)7-11(13)17)19-15(20)18-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea has a molecular weight of 385.65 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).