N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

C16H12F3N3O — CID 26417253

IUPACN-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-5-3-6-13(8-12)21-10-15(23)22-14-7-2-1-4-11(14)9-20/h1-8,21H,10H2,(H,22,23)
InChIKeyUSKILOCTSGGNDX-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.63
Rot. Bonds4

About N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 26417253) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID26417253
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)12-5-3-6-13(8-12)21-10-15(23)22-14-7-2-1-4-11(14)9-20/h1-8,21H,10H2,(H,22,23)
InChIKeyUSKILOCTSGGNDX-UHFFFAOYSA-N
XLogP3.63
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
N-(2-cyanophenyl)-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222081
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 26417253) is N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is N#Cc1ccccc1NC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is USKILOCTSGGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)12-5-3-6-13(8-12)21-10-15(23)22-14-7-2-1-4-11(14)9-20/h1-8,21H,10H2,(H,22,23).
What are the key properties of N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 319.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 26417253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).