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

C17H19ClN2O2 — CID 108897450

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-22-16-9-5-3-7-14(16)12-20-17(21)19-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyIBSVZIUCCJVZIO-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.39
Rot. Bonds6

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

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108897450) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108897450
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-22-16-9-5-3-7-14(16)12-20-17(21)19-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyIBSVZIUCCJVZIO-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea (CID 108897450) is 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is IBSVZIUCCJVZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-9-5-3-7-14(16)12-20-17(21)19-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108897450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).