4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide

C16H11F5N2O3 — CID 59162848

IUPAC4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide
SMILESO=C(NC(C(=O)NO)C(F)(F)F)c1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H11F5N2O3/c17-11-5-10(6-12(18)7-11)8-1-3-9(4-2-8)14(24)22-13(15(25)23-26)16(19,20)21/h1-7,13,26H,(H,22,24)(H,23,25)
InChIKeyYWSFJROJNSDHLJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.80
Rot. Bonds4

About 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide

4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide (PubChem CID 59162848) has the molecular formula C16H11F5N2O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide
PubChem CID59162848
Molecular FormulaC16H11F5N2O3
Molecular Weight374.27 g/mol
Exact Mass374.07
IUPAC Name4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide
SMILESO=C(NC(C(=O)NO)C(F)(F)F)c1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H11F5N2O3/c17-11-5-10(6-12(18)7-11)8-1-3-9(4-2-8)14(24)22-13(15(25)23-26)16(19,20)21/h1-7,13,26H,(H,22,24)(H,23,25)
InChIKeyYWSFJROJNSDHLJ-UHFFFAOYSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.80
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-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
CID 89048036
N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 89047931
N-[3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(2-fluoroethylamino)methyl]phenyl]benzamide
CID 122494434
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-4-methoxybenzamide
CID 155523825
1-N-ethyl-4-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 155514541
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]benzamide
CID 87310386
(4S)-5-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-4-[[4-(3,5-difluorophenyl)benzoyl]amino]-5-oxopentanoic acid
CID 67333219
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155524502
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[4-[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]acetyl]amino]phenyl]benzamide
CID 87310318
4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 89072027

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide (CID 59162848) is 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide is O=C(NC(C(=O)NO)C(F)(F)F)c1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide?
The InChIKey is YWSFJROJNSDHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O3/c17-11-5-10(6-12(18)7-11)8-1-3-9(4-2-8)14(24)22-13(15(25)23-26)16(19,20)21/h1-7,13,26H,(H,22,24)(H,23,25).
What are the key properties of 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide?
4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide has a molecular weight of 374.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide is sourced from PubChem (CID 59162848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).