2-amino-4-bromo-N-(3-methylbutyl)benzamide

C12H17BrN2O — CID 79714251

IUPAC2-amino-4-bromo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyXIWMUBVPLQJBIA-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-4-bromo-N-(3-methylbutyl)benzamide

2-amino-4-bromo-N-(3-methylbutyl)benzamide (PubChem CID 79714251) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(3-methylbutyl)benzamide
PubChem CID79714251
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-4-bromo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyXIWMUBVPLQJBIA-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.81
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

2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(3-methylbutyl)benzamide (CID 79714251) is 2-amino-4-bromo-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(3-methylbutyl)benzamide?
The InChIKey is XIWMUBVPLQJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)5-6-15-12(16)10-4-3-9(13)7-11(10)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-4-bromo-N-(3-methylbutyl)benzamide?
2-amino-4-bromo-N-(3-methylbutyl)benzamide has a molecular weight of 285.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 79714251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).