2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide

C13H17Cl2NO — CID 94698283

IUPAC2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCc1cccc(Cl)c1)NC(=O)CCl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16-12(17)9-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIQOAYJRJWNWDMB-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.41
Rot. Bonds5

About 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide

2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide (PubChem CID 94698283) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
PubChem CID94698283
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCc1cccc(Cl)c1)NC(=O)CCl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16-12(17)9-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIQOAYJRJWNWDMB-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.41
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

2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
CID 94692059
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
CID 84726327
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
6-(3-chlorophenyl)-2,2-dimethylhexan-3-one
CID 64505258
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide (CID 94698283) is 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide is CC(C)(CCc1cccc(Cl)c1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide?
The InChIKey is IQOAYJRJWNWDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2,16-12(17)9-14)7-6-10-4-3-5-11(15)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide?
2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide has a molecular weight of 274.19 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 94698283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).