3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C23H19F3N2O3 — CID 91058519

IUPAC3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NO)c1ccc(-c2cccc(C(=O)NCCc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)20-6-1-3-15(13-20)11-12-27-21(29)19-5-2-4-18(14-19)16-7-9-17(10-8-16)22(30)28-31/h1-10,13-14,31H,11-12H2,(H,27,29)(H,28,30)
InChIKeyCHSQFSYANJSXFI-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.46
Rot. Bonds6

About 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 91058519) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID91058519
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NO)c1ccc(-c2cccc(C(=O)NCCc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)20-6-1-3-15(13-20)11-12-27-21(29)19-5-2-4-18(14-19)16-7-9-17(10-8-16)22(30)28-31/h1-10,13-14,31H,11-12H2,(H,27,29)(H,28,30)
InChIKeyCHSQFSYANJSXFI-UHFFFAOYSA-N
XLogP4.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
CID 134800899
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide
CID 58103508
2-methyl-2-[2-methyl-4-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]phenoxy]propanoic acid
CID 69346249
CID 134803729
CID 134803729
1-benzyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 91239685
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 91058519) is 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NO)c1ccc(-c2cccc(C(=O)NCCc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is CHSQFSYANJSXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)20-6-1-3-15(13-20)11-12-27-21(29)19-5-2-4-18(14-19)16-7-9-17(10-8-16)22(30)28-31/h1-10,13-14,31H,11-12H2,(H,27,29)(H,28,30).
What are the key properties of 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 91058519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).