N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide

C18H18F2N2O3 — CID 145391421

IUPACN-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
SMILESCC(C(F)F)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H18F2N2O3/c1-11(16(19)20)15(18(24)22-25)21-17(23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15-16,25H,1H3,(H,21,23)(H,22,24)
InChIKeyFMEOPEPRVKRFDN-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.86
Rot. Bonds6

About N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide

N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide (PubChem CID 145391421) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
PubChem CID145391421
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
SMILESCC(C(F)F)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H18F2N2O3/c1-11(16(19)20)15(18(24)22-25)21-17(23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15-16,25H,1H3,(H,21,23)(H,22,24)
InChIKeyFMEOPEPRVKRFDN-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.86
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)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide
CID 59626772
4-(4-cyclopropylbuta-1,3-diynyl)-N-[(2S,3R)-4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 171510109
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide
CID 89048095
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
CID 59956200
4-[3-(2-aminoethylamino)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87310366
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-nitrophenyl)benzamide
CID 59698158
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
CID 59697640
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-[4-(ethylaminomethyl)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87199911
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732

Frequently Asked Questions

What is the IUPAC name of N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide (CID 145391421) is N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide is CC(C(F)F)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide?
The InChIKey is FMEOPEPRVKRFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(16(19)20)15(18(24)22-25)21-17(23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15-16,25H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide?
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide has a molecular weight of 348.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 145391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).