1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea

C17H19ClN2O2 — CID 108898402

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-7-12(2)16(15(18)8-11)20-17(21)19-10-13-5-4-6-14(9-13)22-3/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyKDMSXBBRXADBRH-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.29
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108898402) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108898402
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-7-12(2)16(15(18)8-11)20-17(21)19-10-13-5-4-6-14(9-13)22-3/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyKDMSXBBRXADBRH-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 55525219
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea (CID 108898402) is 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is KDMSXBBRXADBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-7-12(2)16(15(18)8-11)20-17(21)19-10-13-5-4-6-14(9-13)22-3/h4-9H,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108898402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).