N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide

C14H21BrN2O — CID 63832500

IUPACN-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1N)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(15)8-11(12)16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyDUAYDSWSVOCAHP-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.04
Rot. Bonds3

About N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide

N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide (PubChem CID 63832500) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
PubChem CID63832500
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1N)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(15)8-11(12)16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyDUAYDSWSVOCAHP-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.04
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-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62552957
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
CID 55259550

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide (CID 63832500) is N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(Br)cc1N)C(C)(C)C.
What is the InChIKey of N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide?
The InChIKey is DUAYDSWSVOCAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(15)8-11(12)16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide?
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide has a molecular weight of 313.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63832500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).