N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C17H11F3N2O — CID 127043003

IUPACN-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)12-6-2-4-8-14(12)22-16(23)15-10-9-11-5-1-3-7-13(11)21-15/h1-10H,(H,22,23)
InChIKeyOHNWFRQDVLNKIX-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.51
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide

N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 127043003) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
PubChem CID127043003
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)12-6-2-4-8-14(12)22-16(23)15-10-9-11-5-1-3-7-13(11)21-15/h1-10H,(H,22,23)
InChIKeyOHNWFRQDVLNKIX-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 127043003) is N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is OHNWFRQDVLNKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)12-6-2-4-8-14(12)22-16(23)15-10-9-11-5-1-3-7-13(11)21-15/h1-10H,(H,22,23).
What are the key properties of N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 127043003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).