1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea

C13H19ClN2O2 — CID 96566350

IUPAC1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyDWUBLOXOSDPZMR-LBPRGKRZSA-N
MW270.76 g/mol
LogP2.74
Rot. Bonds5

About 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea

1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea (PubChem CID 96566350) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
PubChem CID96566350
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea
SMILESCO[C@@H](CNC(=O)NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1
InChIKeyDWUBLOXOSDPZMR-LBPRGKRZSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea 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

5-(4-Chlorophenyl)-N-ethyl-2-oxo-1,3-oxazolidine-3-carboximidic acid
CID 214984
3-Oxazolidinecarboxamide, 5-(4-chlorophenyl)-N-(1-methylethyl)-2-oxo-
CID 214985
3-Oxazolidinecarboxamide, 5-(3,4-dichlorophenyl)-N-ethyl-2-oxo-
CID 214986
5-(3,4-Dichlorophenyl)-2-oxo-N-propyl-1,3-oxazolidine-3-carboximidic acid
CID 214987
2-(3-Chlorophenyl)-5,5-dimethylmorpholine
CID 24271569
2-(3-Chlorophenyl)-5-methylmorpholine
CID 43367106
6-(3-Chlorophenyl)morpholin-3-one
CID 102555154
2-[2-(2-chlorophenyl)morpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 53599141
1-Ethyl-3-(2-methoxy-2-phenylbutyl)urea
CID 71810786
1-[2-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-3-cyclopent-3-en-1-ylurea
CID 75435604
1-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclopentylurea
CID 97554128
3-Chlorophenmetrazine
CID 43350791

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea (CID 96566350) is 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea is CO[C@@H](CNC(=O)NC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
The InChIKey is DWUBLOXOSDPZMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)16-13(17)15-8-12(18-3)10-5-4-6-11(14)7-10/h4-7,9,12H,8H2,1-3H3,(H2,15,16,17)/t12-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea?
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea has a molecular weight of 270.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-propan-2-ylurea is sourced from PubChem (CID 96566350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).