N-(4-aminobutan-2-yl)-2-bromobenzamide

C11H15BrN2O — CID 139298037

IUPACN-(4-aminobutan-2-yl)-2-bromobenzamide
SMILESCC(CCN)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(6-7-13)14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyXMCXLSQGTVNFSO-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.92
Rot. Bonds4

About N-(4-aminobutan-2-yl)-2-bromobenzamide

N-(4-aminobutan-2-yl)-2-bromobenzamide (PubChem CID 139298037) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-bromobenzamide
PubChem CID139298037
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(4-aminobutan-2-yl)-2-bromobenzamide
SMILESCC(CCN)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c1-8(6-7-13)14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyXMCXLSQGTVNFSO-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-(4-aminobutan-2-yl)benzamide
CID 62087210
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
CID 71910995
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62087219

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-bromobenzamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-bromobenzamide (CID 139298037) is N-(4-aminobutan-2-yl)-2-bromobenzamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-bromobenzamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-bromobenzamide is CC(CCN)NC(=O)c1ccccc1Br.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-bromobenzamide?
The InChIKey is XMCXLSQGTVNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(6-7-13)14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)-2-bromobenzamide?
N-(4-aminobutan-2-yl)-2-bromobenzamide has a molecular weight of 271.16 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-bromobenzamide is sourced from PubChem (CID 139298037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).