2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide

C12H14ClNO2 — CID 166408887

IUPAC2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide
SMILESCOc1ccccc1C1(NC(=O)CCl)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-5-3-2-4-9(10)12(6-7-12)14-11(15)8-13/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyVYELCINQVPWLAW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.04
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide

2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide (PubChem CID 166408887) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide
PubChem CID166408887
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide
SMILESCOc1ccccc1C1(NC(=O)CCl)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-5-3-2-4-9(10)12(6-7-12)14-11(15)8-13/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyVYELCINQVPWLAW-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)cyclopropyl]-2-chloroacetamide
CID 166404070
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopropanecarboxamide
CID 110445612
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopentanecarboxamide
CID 110466283
N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide
CID 110466575
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-[1-(2-methoxyphenyl)cyclopropyl]butane-1-sulfonamide
CID 110440611
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
(1R)-2-chloro-1-[1-(2-methoxyphenyl)cyclobutyl]ethanol
CID 58737498

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide (CID 166408887) is 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide is COc1ccccc1C1(NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide?
The InChIKey is VYELCINQVPWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-10-5-3-2-4-9(10)12(6-7-12)14-11(15)8-13/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide?
2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)cyclopropyl]acetamide is sourced from PubChem (CID 166408887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).