N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide

C25H20F4N2O5 — CID 159986391

IUPACN-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(F)cc1C(=O)Nc1ccnc(C(C)=O)c1
InChIInChI=1S/C25H20F4N2O5/c1-13(32)20-9-15(7-8-30-20)31-24(33)18-11-19(26)17(14-3-4-14)12-22(18)35-21-6-5-16(10-23(21)34-2)36-25(27,28)29/h5-12,14H,3-4H2,1-2H3,(H,30,31,33)
InChIKeySMTHTDSZDRAYHQ-UHFFFAOYSA-N
MW504.44 g/mol
LogP6.25
Rot. Bonds8

About N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide

N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 159986391) has the molecular formula C25H20F4N2O5 and a molecular weight of 504.44 g/mol. Its IUPAC name is N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
PubChem CID159986391
Molecular FormulaC25H20F4N2O5
Molecular Weight504.44 g/mol
Exact Mass504.13
IUPAC NameN-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(F)cc1C(=O)Nc1ccnc(C(C)=O)c1
InChIInChI=1S/C25H20F4N2O5/c1-13(32)20-9-15(7-8-30-20)31-24(33)18-11-19(26)17(14-3-4-14)12-22(18)35-21-6-5-16(10-23(21)34-2)36-25(27,28)29/h5-12,14H,3-4H2,1-2H3,(H,30,31,33)
InChIKeySMTHTDSZDRAYHQ-UHFFFAOYSA-N
XLogP6.25
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]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

4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645523
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
CID 148707251
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The IUPAC name of N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide (CID 159986391) is N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide.
What is the SMILES notation for N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The canonical SMILES for N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(F)cc1C(=O)Nc1ccnc(C(C)=O)c1.
What is the InChIKey of N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The InChIKey is SMTHTDSZDRAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O5/c1-13(32)20-9-15(7-8-30-20)31-24(33)18-11-19(26)17(14-3-4-14)12-22(18)35-21-6-5-16(10-23(21)34-2)36-25(27,28)29/h5-12,14H,3-4H2,1-2H3,(H,30,31,33).
What are the key properties of N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide has a molecular weight of 504.44 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide is sourced from PubChem (CID 159986391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).