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

C13H16ClNO — CID 166414654

IUPAC2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCN(CC1(c2ccccc2)CC1)C(=O)CCl
InChIInChI=1S/C13H16ClNO/c1-15(12(16)9-14)10-13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyUPKRHLAPBIXTNK-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.42
Rot. Bonds4

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

2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 166414654) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID166414654
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCN(CC1(c2ccccc2)CC1)C(=O)CCl
InChIInChI=1S/C13H16ClNO/c1-15(12(16)9-14)10-13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyUPKRHLAPBIXTNK-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 166414654) is 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide is CN(CC1(c2ccccc2)CC1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is UPKRHLAPBIXTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-15(12(16)9-14)10-13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.42, 4 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)methyl]acetamide is sourced from PubChem (CID 166414654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).