N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide

C12H16BrFN2O — CID 65190911

IUPACN-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
SMILESCCCC(CN)NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-2-3-9(7-15)16-12(17)8-4-5-10(13)11(14)6-8/h4-6,9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyCWXAAFXNPGJDRR-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.45
Rot. Bonds5

About N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide

N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide (PubChem CID 65190911) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
PubChem CID65190911
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC NameN-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
SMILESCCCC(CN)NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O/c1-2-3-9(7-15)16-12(17)8-4-5-10(13)11(14)6-8/h4-6,9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyCWXAAFXNPGJDRR-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 ≤ 500303.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
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4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide (CID 65190911) is N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide is CCCC(CN)NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide?
The InChIKey is CWXAAFXNPGJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-3-9(7-15)16-12(17)8-4-5-10(13)11(14)6-8/h4-6,9H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide?
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide has a molecular weight of 303.18 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)-4-bromo-3-fluorobenzamide is sourced from PubChem (CID 65190911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).