2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide

C14H9F4NO — CID 110755457

IUPAC2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F4NO/c15-10-4-2-1-3-8(10)7-19-14(20)9-5-6-11(16)13(18)12(9)17/h1-6H,7H2,(H,19,20)
InChIKeyNLWSUYKCXFSZKH-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.17
Rot. Bonds3

About 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide

2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 110755457) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID110755457
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H9F4NO/c15-10-4-2-1-3-8(10)7-19-14(20)9-5-6-11(16)13(18)12(9)17/h1-6H,7H2,(H,19,20)
InChIKeyNLWSUYKCXFSZKH-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 175327917
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109156594
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide (CID 110755457) is 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is NLWSUYKCXFSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-10-4-2-1-3-8(10)7-19-14(20)9-5-6-11(16)13(18)12(9)17/h1-6H,7H2,(H,19,20).
What are the key properties of 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide?
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 283.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 110755457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).