N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide

C17H18FN3O3 — CID 89048036

IUPACN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)NO
InChIInChI=1S/C17H18FN3O3/c1-10(19)15(17(23)21-24)20-16(22)12-7-5-11(6-8-12)13-3-2-4-14(18)9-13/h2-10,15,24H,19H2,1H3,(H,20,22)(H,21,23)/t10-,15+/m1/s1
InChIKeyRNZJPSBZPRVFKF-BMIGLBTASA-N
MW331.35 g/mol
LogP1.44
Rot. Bonds5

About N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide

N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide (PubChem CID 89048036) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
PubChem CID89048036
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)NO
InChIInChI=1S/C17H18FN3O3/c1-10(19)15(17(23)21-24)20-16(22)12-7-5-11(6-8-12)13-3-2-4-14(18)9-13/h2-10,15,24H,19H2,1H3,(H,20,22)(H,21,23)/t10-,15+/m1/s1
InChIKeyRNZJPSBZPRVFKF-BMIGLBTASA-N
XLogP1.44
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-pyridin-4-ylbenzamide
CID 89048095
4-[3-(2-aminoethylamino)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87310366
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
4-[2-[(2-aminoethylamino)methyl]phenyl]-N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 88873823
4-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87199796
4-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 87310241
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[(2-cyanoethylamino)methyl]phenyl]benzamide
CID 89048062
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diynyl]benzamide
CID 25165077
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
CID 89072103
N-[1-[4-(3-fluorophenyl)phenyl]-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 127040209
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[3-(pentanoylamino)phenyl]benzamide
CID 88873855
4-(3,5-difluorophenyl)-N-[1,1,1-trifluoro-3-(hydroxyamino)-3-oxopropan-2-yl]benzamide
CID 59162848

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide?
The IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide (CID 89048036) is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide?
The canonical SMILES for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide is C[C@@H](N)[C@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide?
The InChIKey is RNZJPSBZPRVFKF-BMIGLBTASA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10(19)15(17(23)21-24)20-16(22)12-7-5-11(6-8-12)13-3-2-4-14(18)9-13/h2-10,15,24H,19H2,1H3,(H,20,22)(H,21,23)/t10-,15+/m1/s1.
What are the key properties of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide?
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide has a molecular weight of 331.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3-fluorophenyl)benzamide is sourced from PubChem (CID 89048036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).