3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide

C16H12F4N2O2 — CID 176505348

IUPAC3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESNC(=O)c1cc(F)cc(NC(=O)Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-5-10(15(21)24)6-12(8-11)22-14(23)7-9-3-1-2-4-13(9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23)
InChIKeyXLYZIANMVFVWNM-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.12
Rot. Bonds4

About 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide

3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide (PubChem CID 176505348) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide
PubChem CID176505348
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESNC(=O)c1cc(F)cc(NC(=O)Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-5-10(15(21)24)6-12(8-11)22-14(23)7-9-3-1-2-4-13(9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23)
InChIKeyXLYZIANMVFVWNM-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]thiourea
CID 90874503
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 81312309
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316493
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide (CID 176505348) is 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide is NC(=O)c1cc(F)cc(NC(=O)Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is XLYZIANMVFVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-11-5-10(15(21)24)6-12(8-11)22-14(23)7-9-3-1-2-4-13(9)16(18,19)20/h1-6,8H,7H2,(H2,21,24)(H,22,23).
What are the key properties of 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide has a molecular weight of 340.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 176505348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).