N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide

C14H10F3NO3 — CID 139598089

IUPACN-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-9(10)13(21)18-8-5-6-11(19)12(20)7-8/h1-7,19-20H,(H,18,21)
InChIKeyYTWSYFMRWSRSNT-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.37
Rot. Bonds2

About N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide

N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 139598089) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID139598089
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC NameN-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-9(10)13(21)18-8-5-6-11(19)12(20)7-8/h1-7,19-20H,(H,18,21)
InChIKeyYTWSYFMRWSRSNT-UHFFFAOYSA-N
XLogP3.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Benzamide, N-(3-hydroxyphenyl)-
CID 836140
Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
Pti-110
CID 10038269
N-{4-Hydroxy-3-[(propan-2-yl)oxy]phenyl}-2-(trifluoromethyl)benzamide
CID 71327773
N-(4-Hydroxy-3-methoxyphenyl)-2-(trifluoromethyl)benzamide
CID 71327774
N-(3-hydroxyphenyl)-2-phenylacetamide
CID 312542
4,4'-Dihydroxybenzanilide
CID 950480
Exebryl-1
CID 25266368
3'-Hydroxyphthalanilic acid
CID 349244
N-(3-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 836782
N-{3-[2-(3,4-Dihydroxy-phenylcarbamoyl)-ethyl]-phenyl}-2-hydroxy-benzamide
CID 11741221

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide (CID 139598089) is N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is YTWSYFMRWSRSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-2-1-3-9(10)13(21)18-8-5-6-11(19)12(20)7-8/h1-7,19-20H,(H,18,21).
What are the key properties of N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide?
N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 297.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139598089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).