2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide

C14H20ClNO — CID 163807844

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
SMILESCCc1cccc(CC)c1N(CC)C(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-4-11-8-7-9-12(5-2)14(11)16(6-3)13(17)10-15/h7-9H,4-6,10H2,1-3H3
InChIKeyNKPKKHIUEKRIME-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide

2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide (PubChem CID 163807844) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
PubChem CID163807844
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
SMILESCCc1cccc(CC)c1N(CC)C(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-4-11-8-7-9-12(5-2)14(11)16(6-3)13(17)10-15/h7-9H,4-6,10H2,1-3H3
InChIKeyNKPKKHIUEKRIME-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.40
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

3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-(2,6-diethylphenyl)-N-(1,3-dioxepan-2-ylmethyl)acetamide
CID 21403978
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-(2,6-diethylphenyl)-N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]acetamide
CID 21403924
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
CID 70614092
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 88710767

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide (CID 163807844) is 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide is CCc1cccc(CC)c1N(CC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide?
The InChIKey is NKPKKHIUEKRIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-11-8-7-9-12(5-2)14(11)16(6-3)13(17)10-15/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide?
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide has a molecular weight of 253.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide is sourced from PubChem (CID 163807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).