N-(1-cyanopropyl)-3,5-difluorobenzamide

C11H10F2N2O — CID 61119274

IUPACN-(1-cyanopropyl)-3,5-difluorobenzamide
SMILESCCC(C#N)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N2O/c1-2-10(6-14)15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2H2,1H3,(H,15,16)
InChIKeyRHNHKBIAOUXOAK-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.00
Rot. Bonds3

About N-(1-cyanopropyl)-3,5-difluorobenzamide

N-(1-cyanopropyl)-3,5-difluorobenzamide (PubChem CID 61119274) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(1-cyanopropyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-3,5-difluorobenzamide
PubChem CID61119274
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC NameN-(1-cyanopropyl)-3,5-difluorobenzamide
SMILESCCC(C#N)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H10F2N2O/c1-2-10(6-14)15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2H2,1H3,(H,15,16)
InChIKeyRHNHKBIAOUXOAK-UHFFFAOYSA-N
XLogP2.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[acetamido(cyano)methyl]-3,5-difluorobenzamide
CID 86031735
N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
CID 63931471
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
(2S)-2-[(3,5-difluorobenzoyl)amino]-3-methylpentanoic acid
CID 61172002
N-(1-cyanopropyl)-5-fluoro-2-nitrobenzamide
CID 61119679
3-bromo-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62091701
3-fluoro-N-hex-5-yn-3-yl-5-methylbenzamide
CID 115660003
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
N-(1-cyanobutan-2-yl)-3,4,5-trifluorobenzamide
CID 63185622

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-cyanopropyl)-3,5-difluorobenzamide (CID 61119274) is N-(1-cyanopropyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-cyanopropyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-cyanopropyl)-3,5-difluorobenzamide is CCC(C#N)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1-cyanopropyl)-3,5-difluorobenzamide?
The InChIKey is RHNHKBIAOUXOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-10(6-14)15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanopropyl)-3,5-difluorobenzamide?
N-(1-cyanopropyl)-3,5-difluorobenzamide has a molecular weight of 224.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-3,5-difluorobenzamide is sourced from PubChem (CID 61119274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).