1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea

C16H17ClN2O2 — CID 51046185

IUPAC1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
SMILESCCOc1cccc(CNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-13-7-5-6-12(10-13)11-18-16(20)19-15-9-4-3-8-14(15)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyXFJVVOKHZLWYTK-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.06
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea (PubChem CID 51046185) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
PubChem CID51046185
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
SMILESCCOc1cccc(CNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-13-7-5-6-12(10-13)11-18-16(20)19-15-9-4-3-8-14(15)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyXFJVVOKHZLWYTK-UHFFFAOYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
N-[(3-ethoxyphenyl)methylcarbamoyl]-2-hydroxybenzamide
CID 142955511
(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
CID 38000686
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea (CID 51046185) is 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea is CCOc1cccc(CNC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea?
The InChIKey is XFJVVOKHZLWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-13-7-5-6-12(10-13)11-18-16(20)19-15-9-4-3-8-14(15)17/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea?
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea has a molecular weight of 304.78 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 51046185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).