N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

C23H18F4N2O2 — CID 123892553

IUPACN-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc1F
InChIInChI=1S/C23H18F4N2O2/c1-3-20(30)17-9-10-19(29-21(17)24)18-12-16(8-7-13(18)2)28-22(31)14-5-4-6-15(11-14)23(25,26)27/h4-12H,3H2,1-2H3,(H,28,31)
InChIKeyJAYOSXDFXXHOSJ-UHFFFAOYSA-N
MW430.40 g/mol
LogP6.06
Rot. Bonds5

About N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 123892553) has the molecular formula C23H18F4N2O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID123892553
Molecular FormulaC23H18F4N2O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC NameN-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCC(=O)c1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc1F
InChIInChI=1S/C23H18F4N2O2/c1-3-20(30)17-9-10-19(29-21(17)24)18-12-16(8-7-13(18)2)28-22(31)14-5-4-6-15(11-14)23(25,26)27/h4-12H,3H2,1-2H3,(H,28,31)
InChIKeyJAYOSXDFXXHOSJ-UHFFFAOYSA-N
XLogP6.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Ro-4491533
CID 11158623
2-Fluoranyl-~{n}-[2-(4-Fluorophenyl)-6-Methyl-Pyridin-3-Yl]-4-(Trifluoromethyl)benzamide
CID 123131777
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
4-(3-(2-ethyl-6-methylpyridin-4-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 11351088
4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7,8-bis(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 22317892
2-Methyl-4-(2-fluoro-6-trifluoromethylbenzylamino)quinoline-8-carboxamide
CID 122185975
N-(4-acetylphenyl)-2-methyl-4-quinolinecarboxamide
CID 856040
N,N'-bis(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 4674928
N-(3,4-dimethylphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
CID 16017283
2-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)-2-oxoacetamide
CID 16017285
13-(2,4-Difluoroanilino)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 25257471
8-(2,4-Difluoro-phenylamino)-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one
CID 25257709

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 123892553) is N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is CCC(=O)c1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc1F.
What is the InChIKey of N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JAYOSXDFXXHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O2/c1-3-20(30)17-9-10-19(29-21(17)24)18-12-16(8-7-13(18)2)28-22(31)14-5-4-6-15(11-14)23(25,26)27/h4-12H,3H2,1-2H3,(H,28,31).
What are the key properties of N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 430.40 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-5-propanoyl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).