N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide

C16H13FN2O — CID 82123285

IUPACN-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
SMILESCc1ccccc1C(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-11-4-2-3-5-14(11)15(10-18)19-16(20)12-6-8-13(17)9-7-12/h2-9,15H,1H3,(H,19,20)
InChIKeyTWPDVXVXUWEWIB-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.13
Rot. Bonds3

About N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide

N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide (PubChem CID 82123285) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
PubChem CID82123285
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
SMILESCc1ccccc1C(C#N)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-11-4-2-3-5-14(11)15(10-18)19-16(20)12-6-8-13(17)9-7-12/h2-9,15H,1H3,(H,19,20)
InChIKeyTWPDVXVXUWEWIB-UHFFFAOYSA-N
XLogP3.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 56584612
N-(1-cyano-2-methylpropyl)-4-fluorobenzamide
CID 63929792
N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide (CID 82123285) is N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide is Cc1ccccc1C(C#N)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide?
The InChIKey is TWPDVXVXUWEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-4-2-3-5-14(11)15(10-18)19-16(20)12-6-8-13(17)9-7-12/h2-9,15H,1H3,(H,19,20).
What are the key properties of N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide?
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide has a molecular weight of 268.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 82123285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).