2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C23H21F3N4O3 — CID 117077482

IUPAC2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2cccc(OC)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3/c1-27-22(32)16-8-3-4-9-18(16)29-19-12-20(28-13-17(19)23(24,25)26)30-21(31)11-14-6-5-7-15(10-14)33-2/h3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30,31)
InChIKeyYAOZVXCABDEQLT-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.39
Rot. Bonds7

About 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 117077482) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID117077482
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2cccc(OC)c2)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3/c1-27-22(32)16-8-3-4-9-18(16)29-19-12-20(28-13-17(19)23(24,25)26)30-21(31)11-14-6-5-7-15(10-14)33-2/h3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30,31)
InChIKeyYAOZVXCABDEQLT-UHFFFAOYSA-N
XLogP4.39
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44442396
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CID 71544354
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CID 72724932
CID 72724932
CID 89462922
CID 89462922
CID 1440879
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CID 25138023
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CID 759561
CID 759561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 117077482) is 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2cccc(OC)c2)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is YAOZVXCABDEQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-27-22(32)16-8-3-4-9-18(16)29-19-12-20(28-13-17(19)23(24,25)26)30-21(31)11-14-6-5-7-15(10-14)33-2/h3-10,12-13H,11H2,1-2H3,(H,27,32)(H2,28,29,30,31).
What are the key properties of 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 458.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 117077482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).