3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide

C14H10F3NO2 — CID 115735463

IUPAC3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h1-6,19H,7H2,(H,18,20)
InChIKeyMHHKMKDGYROUNT-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.74
Rot. Bonds3

About 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide

3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 115735463) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID115735463
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h1-6,19H,7H2,(H,18,20)
InChIKeyMHHKMKDGYROUNT-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
3,5-difluoro-4-hydrazinyl-N-[(2-methylphenyl)methyl]benzamide
CID 63186090
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide (CID 115735463) is 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is MHHKMKDGYROUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-10-5-9(6-11(16)13(10)17)14(20)18-7-8-3-1-2-4-12(8)19/h1-6,19H,7H2,(H,18,20).
What are the key properties of 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide?
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 281.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 115735463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).