2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide

C14H20ClNO — CID 115162114

IUPAC2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C)c(CCNC(=O)CCl)c1C
InChIInChI=1S/C14H20ClNO/c1-9-7-10(2)12(4)13(11(9)3)5-6-16-14(17)8-15/h7H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyZIGZGUFOTWRGQX-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide

2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide (PubChem CID 115162114) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
PubChem CID115162114
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(C)c(CCNC(=O)CCl)c1C
InChIInChI=1S/C14H20ClNO/c1-9-7-10(2)12(4)13(11(9)3)5-6-16-14(17)8-15/h7H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyZIGZGUFOTWRGQX-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]propanamide
CID 115139292
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
N-(2-acetamidoethyl)-2-(2,3,5,6-tetramethylphenyl)acetamide
CID 110768038
3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
N',N'-dimethyl-3-(2,3,5,6-tetramethylphenyl)propanehydrazide
CID 116847580
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
CID 166408958
N-[(2,3,5,6-tetramethylphenyl)methyl]carbamoyl bromide
CID 115193571
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
2-sulfanyl-N-[2-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 115167394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide (CID 115162114) is 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide is Cc1cc(C)c(C)c(CCNC(=O)CCl)c1C.
What is the InChIKey of 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide?
The InChIKey is ZIGZGUFOTWRGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-7-10(2)12(4)13(11(9)3)5-6-16-14(17)8-15/h7H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide?
2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 2.82, 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-(2,3,5,6-tetramethylphenyl)ethyl]acetamide is sourced from PubChem (CID 115162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).