2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide

C11H10BrFN2O — CID 115678854

IUPAC2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O/c1-7(5-6-14)15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyFOELWYMPJAVQPT-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.62
Rot. Bonds3

About 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide

2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide (PubChem CID 115678854) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
PubChem CID115678854
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide
SMILESCC(CC#N)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H10BrFN2O/c1-7(5-6-14)15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyFOELWYMPJAVQPT-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 55135191
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
3-bromo-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62091701
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-bromo-6-fluorobenzamide
CID 114559235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide (CID 115678854) is 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide is CC(CC#N)NC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide?
The InChIKey is FOELWYMPJAVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-7(5-6-14)15-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide?
2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide has a molecular weight of 285.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanopropan-2-yl)-6-fluorobenzamide is sourced from PubChem (CID 115678854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).