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

C17H19ClN2O2 — CID 86837941

IUPAC3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-7-4-5-8-13(12)11-20(2)17(21)19-15-10-6-9-14(18)16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyROTOTLIOOFWLRV-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.32
Rot. Bonds4

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

3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 86837941) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
PubChem CID86837941
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-7-4-5-8-13(12)11-20(2)17(21)19-15-10-6-9-14(18)16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyROTOTLIOOFWLRV-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (CID 86837941) is 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is COc1c(Cl)cccc1NC(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is ROTOTLIOOFWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-7-4-5-8-13(12)11-20(2)17(21)19-15-10-6-9-14(18)16(15)22-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 86837941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).