1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea

C15H15ClN2O2 — CID 6469547

IUPAC1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-8-6-12(7-9-13)18-15(19)17-10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyKKJZKTWPVABJFY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.67
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea

1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 6469547) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID6469547
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-13-8-6-12(7-9-13)18-15(19)17-10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyKKJZKTWPVABJFY-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

2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
5-N-[(2-chlorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353628
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
CID 2806109
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea (CID 6469547) is 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is KKJZKTWPVABJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-13-8-6-12(7-9-13)18-15(19)17-10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea?
1-[(2-chlorophenyl)methyl]-3-(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-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 6469547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).