N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide

C12H17ClN2O — CID 62083909

IUPACN-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-10(16)15-11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyQWCLKNWEPVTOOM-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.30
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide

N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide (PubChem CID 62083909) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
PubChem CID62083909
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)7-10(16)15-11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyQWCLKNWEPVTOOM-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-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044
N-(2-amino-6-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 62085159
2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
CID 113293124
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
CID 62590078
4-(2,6-dichloroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65467753
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
3-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114176714
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide (CID 62083909) is N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is QWCLKNWEPVTOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,3)7-10(16)15-11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide?
N-(2-amino-6-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-6-chlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 62083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).