1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea

C17H19ClN2O2 — CID 108988820

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(16(22-3)10-14(11)18)20-17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H2,19,20,21)
InChIKeyXKTOWQMMKICRLT-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea (PubChem CID 108988820) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
PubChem CID108988820
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(16(22-3)10-14(11)18)20-17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H2,19,20,21)
InChIKeyXKTOWQMMKICRLT-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085869
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea (CID 108988820) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea is COc1cc(Cl)c(C)cc1NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea?
The InChIKey is XKTOWQMMKICRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-9-15(16(22-3)10-14(11)18)20-17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea has a molecular weight of 318.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 108988820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).