2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

C22H17Cl2F3N4O2 — CID 117077320

IUPAC2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C22H17Cl2F3N4O2/c1-28-21(33)12-5-2-3-8-17(12)30-18-10-19(29-11-14(18)22(25,26)27)31-20(32)9-13-15(23)6-4-7-16(13)24/h2-8,10-11H,9H2,1H3,(H,28,33)(H2,29,30,31,32)
InChIKeyOOKCFRAOZQUVOB-UHFFFAOYSA-N
MW497.30 g/mol
LogP5.69
Rot. Bonds6

About 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide

2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 117077320) has the molecular formula C22H17Cl2F3N4O2 and a molecular weight of 497.30 g/mol. Its IUPAC name is 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID117077320
Molecular FormulaC22H17Cl2F3N4O2
Molecular Weight497.30 g/mol
Exact Mass496.07
IUPAC Name2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C22H17Cl2F3N4O2/c1-28-21(33)12-5-2-3-8-17(12)30-18-10-19(29-11-14(18)22(25,26)27)31-20(32)9-13-15(23)6-4-7-16(13)24/h2-8,10-11H,9H2,1H3,(H,28,33)(H2,29,30,31,32)
InChIKeyOOKCFRAOZQUVOB-UHFFFAOYSA-N
XLogP5.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.30
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide (CID 117077320) is 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is OOKCFRAOZQUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N4O2/c1-28-21(33)12-5-2-3-8-17(12)30-18-10-19(29-11-14(18)22(25,26)27)31-20(32)9-13-15(23)6-4-7-16(13)24/h2-8,10-11H,9H2,1H3,(H,28,33)(H2,29,30,31,32).
What are the key properties of 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 497.30 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 117077320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).