N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide

C12H14ClNO2 — CID 90019460

IUPACN-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-16-7-12(15)14-11-6-9(11)8-4-2-3-5-10(8)13/h2-5,9,11H,6-7H2,1H3,(H,14,15)
InChIKeyQBTDPXPOWFZOIU-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide

N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide (PubChem CID 90019460) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
PubChem CID90019460
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CC1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-16-7-12(15)14-11-6-9(11)8-4-2-3-5-10(8)13/h2-5,9,11H,6-7H2,1H3,(H,14,15)
InChIKeyQBTDPXPOWFZOIU-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
CID 97014434
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291
N-[4-[[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 95294622
N-[2-(2-chlorophenyl)cyclopropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 71880321
(2R)-N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(2-ethoxyethoxy)propanamide
CID 124826238
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
N-[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133028
N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
CID 95295464
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide (CID 90019460) is N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide is COCC(=O)NC1CC1c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide?
The InChIKey is QBTDPXPOWFZOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-7-12(15)14-11-6-9(11)8-4-2-3-5-10(8)13/h2-5,9,11H,6-7H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide?
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide has a molecular weight of 239.70 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide is sourced from PubChem (CID 90019460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).