N-(1-cyano-2-methylpropyl)-4-fluorobenzamide

C12H13FN2O — CID 63929792

IUPACN-(1-cyano-2-methylpropyl)-4-fluorobenzamide
SMILESCC(C)C(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-8(2)11(7-14)15-12(16)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2H3,(H,15,16)
InChIKeyHJQXXVNJRLLVHH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.10
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-4-fluorobenzamide

N-(1-cyano-2-methylpropyl)-4-fluorobenzamide (PubChem CID 63929792) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-4-fluorobenzamide
PubChem CID63929792
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-(1-cyano-2-methylpropyl)-4-fluorobenzamide
SMILESCC(C)C(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-8(2)11(7-14)15-12(16)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2H3,(H,15,16)
InChIKeyHJQXXVNJRLLVHH-UHFFFAOYSA-N
XLogP2.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
CID 63931471
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
N-(1-cyano-2-methylpropyl)-2,4,6-trifluorobenzamide
CID 65098632
4-bromo-N-(1-cyano-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449651
4-bromo-3-chloro-N-(1-cyano-2-methylpropyl)benzamide
CID 81003026
N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
CID 63931261
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-(1-cyano-2-methylpropyl)-2,2-difluoroacetamide
CID 103513773

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-4-fluorobenzamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-4-fluorobenzamide (CID 63929792) is N-(1-cyano-2-methylpropyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-4-fluorobenzamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-4-fluorobenzamide is CC(C)C(C#N)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-4-fluorobenzamide?
The InChIKey is HJQXXVNJRLLVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(2)11(7-14)15-12(16)9-3-5-10(13)6-4-9/h3-6,8,11H,1-2H3,(H,15,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-4-fluorobenzamide?
N-(1-cyano-2-methylpropyl)-4-fluorobenzamide has a molecular weight of 220.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-4-fluorobenzamide is sourced from PubChem (CID 63929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).