4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide

C14H21BrN2O — CID 83143162

IUPAC4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(N)c(Br)c1)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(14(2,3)4)8-17-13(18)10-5-6-12(16)11(15)7-10/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyYPOBQWPWHHDCHP-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.44
Rot. Bonds3

About 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide

4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 83143162) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID83143162
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(N)c(Br)c1)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-9(14(2,3)4)8-17-13(18)10-5-6-12(16)11(15)7-10/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyYPOBQWPWHHDCHP-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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

4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
CID 78965757
4-amino-3-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 78966204
2-bromo-5-(2,3,3-trimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 83145232
4-bromo-3-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965821
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide (CID 83143162) is 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1ccc(N)c(Br)c1)C(C)(C)C.
What is the InChIKey of 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is YPOBQWPWHHDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9(14(2,3)4)8-17-13(18)10-5-6-12(16)11(15)7-10/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide?
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 313.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 83143162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).