N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C14H10ClF3N2O — CID 2726855

IUPACN-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-12-4-2-1-3-9(12)7-20-13(21)10-8-19-6-5-11(10)14(16,17)18/h1-6,8H,7H2,(H,20,21)
InChIKeyRSTBIOWXLDBBJA-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.68
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726855) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726855
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-12-4-2-1-3-9(12)7-20-13(21)10-8-19-6-5-11(10)14(16,17)18/h1-6,8H,7H2,(H,20,21)
InChIKeyRSTBIOWXLDBBJA-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851434
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N',N'-bis(prop-2-ynyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983790
N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10406940

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726855) is N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RSTBIOWXLDBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-12-4-2-1-3-9(12)7-20-13(21)10-8-19-6-5-11(10)14(16,17)18/h1-6,8H,7H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 314.69 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).