2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide

C14H10F3NO4 — CID 90990894

IUPAC2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide
SMILESO=C(c1cccc(O)c1O)N(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-18(9-5-2-1-3-6-9)13(21)10-7-4-8-11(19)12(10)20/h1-8,19-20H
InChIKeyRGLTWXSYOSNHHD-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.20
Rot. Bonds3

About 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide

2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide (PubChem CID 90990894) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide
PubChem CID90990894
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide
SMILESO=C(c1cccc(O)c1O)N(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-18(9-5-2-1-3-6-9)13(21)10-7-4-8-11(19)12(10)20/h1-8,19-20H
InChIKeyRGLTWXSYOSNHHD-UHFFFAOYSA-N
XLogP3.20
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl(trifluoromethoxy)carbamic acid
CID 87790177
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate
CID 86093382
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353
N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
2-[N-(trifluoromethoxy)anilino]propanamide
CID 19828057
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
2-[cyclopropyl-(2,3-dihydroxybenzoyl)amino]acetic acid
CID 114343291

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide?
The IUPAC name of 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide (CID 90990894) is 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide is O=C(c1cccc(O)c1O)N(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide?
The InChIKey is RGLTWXSYOSNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)22-18(9-5-2-1-3-6-9)13(21)10-7-4-8-11(19)12(10)20/h1-8,19-20H.
What are the key properties of 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide?
2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide has a molecular weight of 313.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-phenyl-N-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90990894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).