3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide

C12H15FN2O5 — CID 11129875

IUPAC3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](CO)C(=O)NO)ccc1F
InChIInChI=1S/C12H15FN2O5/c1-2-20-10-5-7(3-4-8(10)13)11(17)14-9(6-16)12(18)15-19/h3-5,9,16,19H,2,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyGPANAXSUDDHMPC-VIFPVBQESA-N
MW286.26 g/mol
LogP-0.18
Rot. Bonds6

About 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide

3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide (PubChem CID 11129875) has the molecular formula C12H15FN2O5 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
PubChem CID11129875
Molecular FormulaC12H15FN2O5
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](CO)C(=O)NO)ccc1F
InChIInChI=1S/C12H15FN2O5/c1-2-20-10-5-7(3-4-8(10)13)11(17)14-9(6-16)12(18)15-19/h3-5,9,16,19H,2,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyGPANAXSUDDHMPC-VIFPVBQESA-N
XLogP-0.18
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide
CID 59698272
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
CID 89072084
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
3-hydroxy-2-[(3,4,5-triethoxybenzoyl)amino]propanoic acid
CID 16773565
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide (CID 11129875) is 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide is CCOc1cc(C(=O)N[C@@H](CO)C(=O)NO)ccc1F.
What is the InChIKey of 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is GPANAXSUDDHMPC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O5/c1-2-20-10-5-7(3-4-8(10)13)11(17)14-9(6-16)12(18)15-19/h3-5,9,16,19H,2,6H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide?
3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 286.26 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 11129875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).