4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

C14H11F3N2O2 — CID 107073831

IUPAC4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(7-9)19-13(21)8-4-5-11(18)12(20)6-8/h1-7,20H,18H2,(H,19,21)
InChIKeyWSHNTMKQGJVFOB-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.25
Rot. Bonds2

About 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 107073831) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID107073831
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(7-9)19-13(21)8-4-5-11(18)12(20)6-8/h1-7,20H,18H2,(H,19,21)
InChIKeyWSHNTMKQGJVFOB-UHFFFAOYSA-N
XLogP3.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 107073831) is 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WSHNTMKQGJVFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(7-9)19-13(21)8-4-5-11(18)12(20)6-8/h1-7,20H,18H2,(H,19,21).
What are the key properties of 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 296.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 107073831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).