1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea

C13H17ClN2O2 — CID 97211780

IUPAC1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-18-7-6-15-13(17)16-12-8-11(12)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H2,15,16,17)/t11-,12+/m1/s1
InChIKeyXDIKWVGEIZEXOY-NEPJUHHUSA-N
MW268.74 g/mol
LogP2.14
Rot. Bonds5

About 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea

1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea (PubChem CID 97211780) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
PubChem CID97211780
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-18-7-6-15-13(17)16-12-8-11(12)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H2,15,16,17)/t11-,12+/m1/s1
InChIKeyXDIKWVGEIZEXOY-NEPJUHHUSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
(3R,4R)-1-(4-chlorobenzoyl)-N-(2-methoxyethyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148423
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea (CID 97211780) is 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea is COCCNC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea?
The InChIKey is XDIKWVGEIZEXOY-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-7-6-15-13(17)16-12-8-11(12)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H2,15,16,17)/t11-,12+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea?
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea has a molecular weight of 268.74 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 97211780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).