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

C15H13BrCl2N2O3 — CID 1296806

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O3/c1-22-13-7-12(14(23-2)6-10(13)18)20-15(21)19-11-4-3-8(16)5-9(11)17/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyFYSMOEOZZBNLFA-UHFFFAOYSA-N
MW420.09 g/mol
LogP5.42
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (PubChem CID 1296806) has the molecular formula C15H13BrCl2N2O3 and a molecular weight of 420.09 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
PubChem CID1296806
Molecular FormulaC15H13BrCl2N2O3
Molecular Weight420.09 g/mol
Exact Mass417.95
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O3/c1-22-13-7-12(14(23-2)6-10(13)18)20-15(21)19-11-4-3-8(16)5-9(11)17/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyFYSMOEOZZBNLFA-UHFFFAOYSA-N
XLogP5.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.09
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 107902838
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
CID 1296841

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea (CID 1296806) is 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
The InChIKey is FYSMOEOZZBNLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3/c1-22-13-7-12(14(23-2)6-10(13)18)20-15(21)19-11-4-3-8(16)5-9(11)17/h3-7H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea?
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea has a molecular weight of 420.09 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 1296806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).