2-chloro-N-(2,3-diethylphenyl)acetamide

C12H16ClNO — CID 21117145

IUPAC2-chloro-N-(2,3-diethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CCl)c1CC
InChIInChI=1S/C12H16ClNO/c1-3-9-6-5-7-11(10(9)4-2)14-12(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLQODCUKDOVBJFT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-N-(2,3-diethylphenyl)acetamide

2-chloro-N-(2,3-diethylphenyl)acetamide (PubChem CID 21117145) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(2,3-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-diethylphenyl)acetamide
PubChem CID21117145
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(2,3-diethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CCl)c1CC
InChIInChI=1S/C12H16ClNO/c1-3-9-6-5-7-11(10(9)4-2)14-12(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyLQODCUKDOVBJFT-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-diethylphenyl)propanamide
CID 142121633
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597
N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
CID 18630159
methyl N-(3-ethyl-2-propylphenyl)carbamate
CID 142214642
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
2-(2-ethyl-3-hydrazinylphenyl)acetic acid
CID 131001227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-diethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,3-diethylphenyl)acetamide (CID 21117145) is 2-chloro-N-(2,3-diethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,3-diethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,3-diethylphenyl)acetamide is CCc1cccc(NC(=O)CCl)c1CC.
What is the InChIKey of 2-chloro-N-(2,3-diethylphenyl)acetamide?
The InChIKey is LQODCUKDOVBJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-9-6-5-7-11(10(9)4-2)14-12(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2,3-diethylphenyl)acetamide?
2-chloro-N-(2,3-diethylphenyl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-diethylphenyl)acetamide is sourced from PubChem (CID 21117145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).