2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

C21H16F4N2O — CID 123628146

IUPAC2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1-c1ccncc1NC(=O)c1cc(C(F)(F)F)ccc1CF
InChIInChI=1S/C21H16F4N2O/c1-13-4-2-3-5-16(13)17-8-9-26-12-19(17)27-20(28)18-10-15(21(23,24)25)7-6-14(18)11-22/h2-10,12H,11H2,1H3,(H,27,28)
InChIKeyFHTHOOMHGMBVDZ-UHFFFAOYSA-N
MW388.36 g/mol
LogP5.80
Rot. Bonds4

About 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide

2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (PubChem CID 123628146) has the molecular formula C21H16F4N2O and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
PubChem CID123628146
Molecular FormulaC21H16F4N2O
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Name2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1-c1ccncc1NC(=O)c1cc(C(F)(F)F)ccc1CF
InChIInChI=1S/C21H16F4N2O/c1-13-4-2-3-5-16(13)17-8-9-26-12-19(17)27-20(28)18-10-15(21(23,24)25)7-6-14(18)11-22/h2-10,12H,11H2,1H3,(H,27,28)
InChIKeyFHTHOOMHGMBVDZ-UHFFFAOYSA-N
XLogP5.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methylphenyl)-3-pyridinyl]-2-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridine-4-carboxamide
CID 123139726
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide (CID 123628146) is 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is Cc1ccccc1-c1ccncc1NC(=O)c1cc(C(F)(F)F)ccc1CF.
What is the InChIKey of 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
The InChIKey is FHTHOOMHGMBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O/c1-13-4-2-3-5-16(13)17-8-9-26-12-19(17)27-20(28)18-10-15(21(23,24)25)7-6-14(18)11-22/h2-10,12H,11H2,1H3,(H,27,28).
What are the key properties of 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide?
2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide has a molecular weight of 388.36 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-[4-(2-methylphenyl)-3-pyridinyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 123628146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).