1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea

C16H17ClN2O2 — CID 108898298

IUPAC1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(17)7-4-8-15(11)19-16(20)18-10-12-5-3-6-13(9-12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyQYJSESNCCQMZPB-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea

1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108898298) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108898298
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(17)7-4-8-15(11)19-16(20)18-10-12-5-3-6-13(9-12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyQYJSESNCCQMZPB-UHFFFAOYSA-N
XLogP3.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea (CID 108898298) is 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is QYJSESNCCQMZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-14(17)7-4-8-15(11)19-16(20)18-10-12-5-3-6-13(9-12)21-2/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 304.78 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108898298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).