2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide

C12H14ClNO — CID 166430545

IUPAC2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide
SMILESCN(C(=O)CCl)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14ClNO/c1-14(11(15)9-13)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyMJYONWPGRHXUCG-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide

2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide (PubChem CID 166430545) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide
PubChem CID166430545
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide
SMILESCN(C(=O)CCl)C1(c2ccccc2)CC1
InChIInChI=1S/C12H14ClNO/c1-14(11(15)9-13)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyMJYONWPGRHXUCG-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 166414654
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
N-[1-(3-chlorophenyl)cyclopropyl]-N-methylacetamide
CID 146152353
(Z)-but-2-enedioic acid;(E)-N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N-methyl-3-phenylprop-2-enamide
CID 87056950
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
N-methyl-N-(4-phenylpiperidin-4-yl)acetamide;phenylmethanesulfonic acid
CID 159100638
ethyl 3-[4-(dimethylamino)-1-(3-ethoxy-3-oxopropyl)-4-phenylcyclohexyl]propanoate;sulfuric acid
CID 158207775
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
CID 138471913
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4-(dimethylamino)-4-phenylcyclohexane-1-carboxamide
CID 21082136
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide (CID 166430545) is 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide is CN(C(=O)CCl)C1(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide?
The InChIKey is MJYONWPGRHXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-14(11(15)9-13)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide?
2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide has a molecular weight of 223.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-phenylcyclopropyl)acetamide is sourced from PubChem (CID 166430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).