N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide

C12H16BrFN2O — CID 107956167

IUPACN-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
SMILESCCCC(CN)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C12H16BrFN2O/c1-2-4-8(7-15)16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17)
InChIKeyMXHRGVHWHHGJCB-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.45
Rot. Bonds5

About N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide

N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide (PubChem CID 107956167) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
PubChem CID107956167
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC NameN-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide
SMILESCCCC(CN)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C12H16BrFN2O/c1-2-4-8(7-15)16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17)
InChIKeyMXHRGVHWHHGJCB-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956165
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
CID 65191269
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
3-bromo-N-ethoxy-2-fluorobenzamide
CID 106547791

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide (CID 107956167) is N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide is CCCC(CN)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide?
The InChIKey is MXHRGVHWHHGJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-4-8(7-15)16-12(17)9-5-3-6-10(13)11(9)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide?
N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide has a molecular weight of 303.17 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107956167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).