1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea

C17H19ClN2O2 — CID 108988904

IUPAC1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12-9-15(16(22-3)10-14(12)18)19-17(21)20(2)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZLXCBMVQKOSEPX-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.32
Rot. Bonds4

About 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea

1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea (PubChem CID 108988904) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
PubChem CID108988904
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12-9-15(16(22-3)10-14(12)18)19-17(21)20(2)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyZLXCBMVQKOSEPX-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887
N'-benzyl-N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2-hydroxyethyl)oxamide
CID 108523848
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea (CID 108988904) is 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea is COc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea?
The InChIKey is ZLXCBMVQKOSEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-9-15(16(22-3)10-14(12)18)19-17(21)20(2)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea?
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea has a molecular weight of 318.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea is sourced from PubChem (CID 108988904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).