N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide

C14H21ClN2O — CID 63834271

IUPACN-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1cc(N)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(14(2,3)4)7-13(18)17-12-8-10(16)5-6-11(12)15/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyPPLPWBZXAIJWET-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.93
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide

N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide (PubChem CID 63834271) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
PubChem CID63834271
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1cc(N)ccc1Cl)C(C)(C)C
InChIInChI=1S/C14H21ClN2O/c1-9(14(2,3)4)7-13(18)17-12-8-10(16)5-6-11(12)15/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyPPLPWBZXAIJWET-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.93
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-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
4-hydroxy-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 107264758

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide (CID 63834271) is N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1cc(N)ccc1Cl)C(C)(C)C.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide?
The InChIKey is PPLPWBZXAIJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(14(2,3)4)7-13(18)17-12-8-10(16)5-6-11(12)15/h5-6,8-9H,7,16H2,1-4H3,(H,17,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide?
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide has a molecular weight of 268.79 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).