N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide

C12H17ClN2O — CID 16781358

IUPACN-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyBIWOXRPDVJOSLO-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.30
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide

N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide (PubChem CID 16781358) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
PubChem CID16781358
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyBIWOXRPDVJOSLO-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995562
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide (CID 16781358) is N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is BIWOXRPDVJOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,3)7-11(16)15-10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide?
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 16781358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).