N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide

C13H16ClNO — CID 63394434

IUPACN-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCCl)C1CC1
InChIInChI=1S/C13H16ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyAAEDWFDWKVZLKO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.46
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide

N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide (PubChem CID 63394434) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
PubChem CID63394434
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCCl)C1CC1
InChIInChI=1S/C13H16ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyAAEDWFDWKVZLKO-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.46
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 N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide (CID 63394434) is N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide is O=C(Cc1ccccc1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide?
The InChIKey is AAEDWFDWKVZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide?
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide has a molecular weight of 237.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 63394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).