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

C17H19ClN2O4 — CID 46860261

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1
InChIInChI=1S/C17H19ClN2O4/c1-10-7-11(22-2)5-6-13(10)19-17(21)20-14-9-15(23-3)12(18)8-16(14)24-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyZYNAUQNEMOGPCE-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.32
Rot. Bonds5

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

1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 46860261) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID46860261
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1
InChIInChI=1S/C17H19ClN2O4/c1-10-7-11(22-2)5-6-13(10)19-17(21)20-14-9-15(23-3)12(18)8-16(14)24-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyZYNAUQNEMOGPCE-UHFFFAOYSA-N
XLogP4.32
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea (CID 46860261) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is ZYNAUQNEMOGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-10-7-11(22-2)5-6-13(10)19-17(21)20-14-9-15(23-3)12(18)8-16(14)24-4/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 350.80 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 46860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).