N-(2-tert-butylphenyl)-2,3-dichloropropanamide

C13H17Cl2NO — CID 67892267

IUPACN-(2-tert-butylphenyl)-2,3-dichloropropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(Cl)CCl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,3)9-6-4-5-7-11(9)16-12(17)10(15)8-14/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyCGKMSGWBZPTBFC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.77
Rot. Bonds3

About N-(2-tert-butylphenyl)-2,3-dichloropropanamide

N-(2-tert-butylphenyl)-2,3-dichloropropanamide (PubChem CID 67892267) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,3-dichloropropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,3-dichloropropanamide
PubChem CID67892267
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-(2-tert-butylphenyl)-2,3-dichloropropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(Cl)CCl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,3)9-6-4-5-7-11(9)16-12(17)10(15)8-14/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyCGKMSGWBZPTBFC-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.77
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-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
N-(2-tert-butylphenyl)-2-(methoxymethoxy)propanamide
CID 73080335
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,3-dichloropropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,3-dichloropropanamide (CID 67892267) is N-(2-tert-butylphenyl)-2,3-dichloropropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,3-dichloropropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,3-dichloropropanamide is CC(C)(C)c1ccccc1NC(=O)C(Cl)CCl.
What is the InChIKey of N-(2-tert-butylphenyl)-2,3-dichloropropanamide?
The InChIKey is CGKMSGWBZPTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2,3)9-6-4-5-7-11(9)16-12(17)10(15)8-14/h4-7,10H,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2-tert-butylphenyl)-2,3-dichloropropanamide?
N-(2-tert-butylphenyl)-2,3-dichloropropanamide has a molecular weight of 274.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,3-dichloropropanamide is sourced from PubChem (CID 67892267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).