1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea

C14H11BrCl2N2O2 — CID 175722040

IUPAC1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCOc1cc(Br)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-3-8(15)2-11(7-13)18-14(20)19-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,18,19,20)
InChIKeySVVYDFUNFSYZCJ-UHFFFAOYSA-N
MW390.06 g/mol
LogP5.41
Rot. Bonds3

About 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea

1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 175722040) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID175722040
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCOc1cc(Br)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-13-3-8(15)2-11(7-13)18-14(20)19-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,18,19,20)
InChIKeySVVYDFUNFSYZCJ-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.06
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
N-[(3-bromo-5-methoxyphenyl)carbamoyl]-2-chloroacetamide
CID 82860744
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 82858703
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea (CID 175722040) is 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea is COc1cc(Br)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is SVVYDFUNFSYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-13-3-8(15)2-11(7-13)18-14(20)19-12-5-9(16)4-10(17)6-12/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea?
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 390.06 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 175722040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).