3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

C16H14F3N3O2 — CID 54833567

IUPAC3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-2-5-12(8-11)21-9-14(23)22-13-6-1-3-10(7-13)15(20)24/h1-8,21H,9H2,(H2,20,24)(H,22,23)
InChIKeyBFFPJZLJFPHRDK-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.85
Rot. Bonds5

About 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (PubChem CID 54833567) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
PubChem CID54833567
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-2-5-12(8-11)21-9-14(23)22-13-6-1-3-10(7-13)15(20)24/h1-8,21H,9H2,(H2,20,24)(H,22,23)
InChIKeyBFFPJZLJFPHRDK-UHFFFAOYSA-N
XLogP2.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (CID 54833567) is 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The InChIKey is BFFPJZLJFPHRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-2-5-12(8-11)21-9-14(23)22-13-6-1-3-10(7-13)15(20)24/h1-8,21H,9H2,(H2,20,24)(H,22,23).
What are the key properties of 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide has a molecular weight of 337.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).