N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

C26H24F4N4O4 — CID 86292059

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-22-14-18(5-8-23(22)38-26(28,29)30)25(36)32-20-6-7-21(31-15-20)17-3-2-4-19(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
InChIKeyCPGGPSNHWZNRFF-UHFFFAOYSA-N
MW532.49 g/mol
LogP4.70
Rot. Bonds7

About N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 86292059) has the molecular formula C26H24F4N4O4 and a molecular weight of 532.49 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID86292059
Molecular FormulaC26H24F4N4O4
Molecular Weight532.49 g/mol
Exact Mass532.17
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-22-14-18(5-8-23(22)38-26(28,29)30)25(36)32-20-6-7-21(31-15-20)17-3-2-4-19(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35)
InChIKeyCPGGPSNHWZNRFF-UHFFFAOYSA-N
XLogP4.70
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (CID 86292059) is N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is CC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cccc(F)c3)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is CPGGPSNHWZNRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4/c1-16(34-9-11-37-12-10-34)24(35)33-22-14-18(5-8-23(22)38-26(28,29)30)25(36)32-20-6-7-21(31-15-20)17-3-2-4-19(27)13-17/h2-8,13-16H,9-12H2,1H3,(H,32,36)(H,33,35).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 532.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 86292059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).