5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide

C17H13F5N2O2 — CID 60567845

IUPAC5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H13F5N2O2/c1-9(25)24-12-4-5-15(19)13(7-12)16(26)23-8-10-2-3-11(18)6-14(10)17(20,21)22/h2-7H,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyCIDFTHWIHLCKED-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.87
Rot. Bonds4

About 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide

5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 60567845) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID60567845
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H13F5N2O2/c1-9(25)24-12-4-5-15(19)13(7-12)16(26)23-8-10-2-3-11(18)6-14(10)17(20,21)22/h2-7H,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyCIDFTHWIHLCKED-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
2,3-dichloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 10270238
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
CID 46474447
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 60557602
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 60567845) is 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide is CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CIDFTHWIHLCKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c1-9(25)24-12-4-5-15(19)13(7-12)16(26)23-8-10-2-3-11(18)6-14(10)17(20,21)22/h2-7H,8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 372.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60567845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).