3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea

C11H15ClN2O3 — CID 150580379

IUPAC3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
SMILESCCOc1c(Cl)cccc1NC(=O)N(C)OC
InChIInChI=1S/C11H15ClN2O3/c1-4-17-10-8(12)6-5-7-9(10)13-11(15)14(2)16-3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyINRYEQXULGMWAH-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.76
Rot. Bonds4

About 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea

3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea (PubChem CID 150580379) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
PubChem CID150580379
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
SMILESCCOc1c(Cl)cccc1NC(=O)N(C)OC
InChIInChI=1S/C11H15ClN2O3/c1-4-17-10-8(12)6-5-7-9(10)13-11(15)14(2)16-3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKeyINRYEQXULGMWAH-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea 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

3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110903231
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea
CID 71332843
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 60600491
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86837941
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea (CID 150580379) is 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea is CCOc1c(Cl)cccc1NC(=O)N(C)OC.
What is the InChIKey of 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea?
The InChIKey is INRYEQXULGMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-4-17-10-8(12)6-5-7-9(10)13-11(15)14(2)16-3/h5-7H,4H2,1-3H3,(H,13,15).
What are the key properties of 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea?
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea has a molecular weight of 258.70 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 150580379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).