3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

C16H12F4N2O2 — CID 108934210

IUPAC3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-12-6-3-5-10(8-12)14(23)21-9-11-4-1-2-7-13(11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyRZMLQFSKXDTLLO-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.26
Rot. Bonds4

About 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108934210) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108934210
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-12-6-3-5-10(8-12)14(23)21-9-11-4-1-2-7-13(11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyRZMLQFSKXDTLLO-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
[3-[[2-[(4-fluorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928571
3-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538443
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108934210) is 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is RZMLQFSKXDTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-12-6-3-5-10(8-12)14(23)21-9-11-4-1-2-7-13(11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 340.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108934210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).