1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea

C14H21ClN2O3 — CID 110919114

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-14(19,5-2)9-16-13(18)17-10-6-7-12(20-3)11(15)8-10/h6-8,19H,4-5,9H2,1-3H3,(H2,16,17,18)
InChIKeyIAWBZJYPBNAWGZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.02
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea

1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 110919114) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID110919114
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-4-14(19,5-2)9-16-13(18)17-10-6-7-12(20-3)11(15)8-10/h6-8,19H,4-5,9H2,1-3H3,(H2,16,17,18)
InChIKeyIAWBZJYPBNAWGZ-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)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-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 10245038
1-(3-chloro-4-methoxyphenyl)-3-[2-[methyl(methylsulfonyl)amino]ethyl]urea
CID 118768412
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(3-chloro-4-methoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 100709255
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032336

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 110919114) is 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is IAWBZJYPBNAWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-4-14(19,5-2)9-16-13(18)17-10-6-7-12(20-3)11(15)8-10/h6-8,19H,4-5,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 300.79 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 110919114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).