2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide

C21H13F6N3O2 — CID 87570856

IUPAC2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)13-8-9-17(28-11-13)30-18(31)12-4-3-5-14(10-12)29-19(32)15-6-1-2-7-16(15)21(25,26)27/h1-11H,(H,29,32)(H,28,30,31)
InChIKeyAFXYSMQWYAWGIV-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.62
Rot. Bonds4

About 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide

2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide (PubChem CID 87570856) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
PubChem CID87570856
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC Name2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)13-8-9-17(28-11-13)30-18(31)12-4-3-5-14(10-12)29-19(32)15-6-1-2-7-16(15)21(25,26)27/h1-11H,(H,29,32)(H,28,30,31)
InChIKeyAFXYSMQWYAWGIV-UHFFFAOYSA-N
XLogP5.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]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

N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 87572853
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
3-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034913
N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide (CID 87570856) is 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cn1)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide?
The InChIKey is AFXYSMQWYAWGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-20(23,24)13-8-9-17(28-11-13)30-18(31)12-4-3-5-14(10-12)29-19(32)15-6-1-2-7-16(15)21(25,26)27/h1-11H,(H,29,32)(H,28,30,31).
What are the key properties of 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide?
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 87570856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).