N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide

C14H20ClNO — CID 18630159

IUPACN-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
SMILESCCc1cccc(C(C)(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-5-10-7-6-8-11(14(2,3)4)13(10)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyIEJWUMLFMSLPPS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.72
Rot. Bonds3

About N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide

N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide (PubChem CID 18630159) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
PubChem CID18630159
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
SMILESCCc1cccc(C(C)(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-5-10-7-6-8-11(14(2,3)4)13(10)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyIEJWUMLFMSLPPS-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.72
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

ethyl 3-tert-butyl-2-[(2-chloroacetyl)amino]benzoate
CID 18630131
2-methylbutan-2-yl 3-tert-butyl-2-[(2-chloroacetyl)amino]benzoate
CID 18630001
N-[2,3-bis(bromomethyl)-6-tert-butylphenyl]-2-chloroacetamide
CID 12812535
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
1-chloro-3-[(2,6-diethylanilino)methoxy]propan-2-one
CID 88596050
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide?
The IUPAC name of N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide (CID 18630159) is N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide is CCc1cccc(C(C)(C)C)c1NC(=O)CCl.
What is the InChIKey of N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide?
The InChIKey is IEJWUMLFMSLPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-5-10-7-6-8-11(14(2,3)4)13(10)16-12(17)9-15/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide?
N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide has a molecular weight of 253.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide is sourced from PubChem (CID 18630159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).