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

C22H17F3N2O3 — CID 87469042

IUPAC3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)N(O)Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H17F3N2O3/c23-22(24,25)19-6-1-3-14(11-19)13-27(30)21(29)18-5-2-4-17(12-18)15-7-9-16(10-8-15)20(26)28/h1-12,30H,13H2,(H2,26,28)
InChIKeySETSTWCPCLWACD-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.50
Rot. Bonds5

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

3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 87469042) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID87469042
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)N(O)Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C22H17F3N2O3/c23-22(24,25)19-6-1-3-14(11-19)13-27(30)21(29)18-5-2-4-17(12-18)15-7-9-16(10-8-15)20(26)28/h1-12,30H,13H2,(H2,26,28)
InChIKeySETSTWCPCLWACD-UHFFFAOYSA-N
XLogP4.50
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
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

3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 87467946
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
4-(3-ethylphenyl)benzamide
CID 54454087
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 87469042) is 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)c1ccc(-c2cccc(C(=O)N(O)Cc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SETSTWCPCLWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c23-22(24,25)19-6-1-3-14(11-19)13-27(30)21(29)18-5-2-4-17(12-18)15-7-9-16(10-8-15)20(26)28/h1-12,30H,13H2,(H2,26,28).
What are the key properties of 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 414.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 87469042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).