1-benzyl-3-(2-chloro-4-methoxyphenyl)urea

C15H15ClN2O2 — CID 110774601

IUPAC1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-12-7-8-14(13(16)9-12)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyGZPIBZVMOUPWGG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.67
Rot. Bonds4

About 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea

1-benzyl-3-(2-chloro-4-methoxyphenyl)urea (PubChem CID 110774601) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
PubChem CID110774601
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-12-7-8-14(13(16)9-12)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyGZPIBZVMOUPWGG-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
benzyl N-[(2S)-1-(2-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 86857939
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
CID 86862773
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea (CID 110774601) is 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea?
The InChIKey is GZPIBZVMOUPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-12-7-8-14(13(16)9-12)18-15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea?
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea has a molecular weight of 290.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-chloro-4-methoxyphenyl)urea is sourced from PubChem (CID 110774601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).