N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide

C21H13F7N2O2 — CID 137064072

IUPACN-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cnccc1-c1ccc(F)cc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H13F7N2O2/c22-15-1-2-17(18(31)8-15)16-3-4-29-9-12(16)10-30-19(32)11-5-13(20(23,24)25)7-14(6-11)21(26,27)28/h1-9,31H,10H2,(H,30,32)
InChIKeyDSSYWNHCKBXQNR-UHFFFAOYSA-N
MW458.33 g/mol
LogP5.56
Rot. Bonds4

About N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide

N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 137064072) has the molecular formula C21H13F7N2O2 and a molecular weight of 458.33 g/mol. Its IUPAC name is N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID137064072
Molecular FormulaC21H13F7N2O2
Molecular Weight458.33 g/mol
Exact Mass458.09
IUPAC NameN-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cnccc1-c1ccc(F)cc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H13F7N2O2/c22-15-1-2-17(18(31)8-15)16-3-4-29-9-12(16)10-30-19(32)11-5-13(20(23,24)25)7-14(6-11)21(26,27)28/h1-9,31H,10H2,(H,30,32)
InChIKeyDSSYWNHCKBXQNR-UHFFFAOYSA-N
XLogP5.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.33
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

GR-55562
CID 128018
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 2965131
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 89642036
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
4-[(3-Hydroxy-4-pyridin-4-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135863112
2-Hydroxy-5-(pyridin-4-yl)benzamide
CID 135909516
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 17540194
[4-Fluoro-3-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54580078
[3-Fluoro-4-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54581065

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide (CID 137064072) is N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1cnccc1-c1ccc(F)cc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is DSSYWNHCKBXQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F7N2O2/c22-15-1-2-17(18(31)8-15)16-3-4-29-9-12(16)10-30-19(32)11-5-13(20(23,24)25)7-14(6-11)21(26,27)28/h1-9,31H,10H2,(H,30,32).
What are the key properties of N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 458.33 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-2-hydroxyphenyl)-3-pyridinyl]methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 137064072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).