N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide

C17H10F3NO5 — CID 53357309

IUPACN-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide
SMILESO=C(NO)c1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H10F3NO5/c18-17(19,20)15-13(8-1-3-9(4-2-8)16(24)21-25)14(23)11-6-5-10(22)7-12(11)26-15/h1-7,22,25H,(H,21,24)
InChIKeyAXGNDXGXGOBKRI-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.30
Rot. Bonds2

About N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide

N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide (PubChem CID 53357309) has the molecular formula C17H10F3NO5 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide
PubChem CID53357309
Molecular FormulaC17H10F3NO5
Molecular Weight365.26 g/mol
Exact Mass365.05
IUPAC NameN-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide
SMILESO=C(NO)c1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H10F3NO5/c18-17(19,20)15-13(8-1-3-9(4-2-8)16(24)21-25)14(23)11-6-5-10(22)7-12(11)26-15/h1-7,22,25H,(H,21,24)
InChIKeyAXGNDXGXGOBKRI-UHFFFAOYSA-N
XLogP3.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,1-difluoropropyl)-7-hydroxy-4-oxochromen-3-yl]benzoic acid
CID 53357241
4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]-3-methylbenzoic acid
CID 53357171
3-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 86714338
7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)chromen-4-one
CID 5418018
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloropropanoate
CID 110274725
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] cyclopropanecarboxylate
CID 2036381
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-chlorobenzoate
CID 95398549
2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 175439697
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
(2S)-2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 6973391
(2R)-2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 6973392

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide?
The IUPAC name of N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide (CID 53357309) is N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide is O=C(NO)c1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide?
The InChIKey is AXGNDXGXGOBKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO5/c18-17(19,20)15-13(8-1-3-9(4-2-8)16(24)21-25)14(23)11-6-5-10(22)7-12(11)26-15/h1-7,22,25H,(H,21,24).
What are the key properties of N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide?
N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzamide is sourced from PubChem (CID 53357309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).