N-(2-aminobutyl)-3-bromo-5-methylbenzamide

C12H17BrN2O — CID 115999631

IUPACN-(2-aminobutyl)-3-bromo-5-methylbenzamide
SMILESCCC(N)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)7-15-12(16)9-4-8(2)5-10(13)6-9/h4-6,11H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyWRLBFISQNOCWTE-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.22
Rot. Bonds4

About N-(2-aminobutyl)-3-bromo-5-methylbenzamide

N-(2-aminobutyl)-3-bromo-5-methylbenzamide (PubChem CID 115999631) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(2-aminobutyl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3-bromo-5-methylbenzamide
PubChem CID115999631
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(2-aminobutyl)-3-bromo-5-methylbenzamide
SMILESCCC(N)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-11(14)7-15-12(16)9-4-8(2)5-10(13)6-9/h4-6,11H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyWRLBFISQNOCWTE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752
3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(2-aminobutyl)-3-bromo-5-methylbenzamide (CID 115999631) is N-(2-aminobutyl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(2-aminobutyl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(2-aminobutyl)-3-bromo-5-methylbenzamide is CCC(N)CNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of N-(2-aminobutyl)-3-bromo-5-methylbenzamide?
The InChIKey is WRLBFISQNOCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-11(14)7-15-12(16)9-4-8(2)5-10(13)6-9/h4-6,11H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminobutyl)-3-bromo-5-methylbenzamide?
N-(2-aminobutyl)-3-bromo-5-methylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 115999631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).