3-[3-(hydroxyamino)-3-oxopropyl]benzamide

C10H12N2O3 — CID 141465309

IUPAC3-[3-(hydroxyamino)-3-oxopropyl]benzamide
SMILESNC(=O)c1cccc(CCC(=O)NO)c1
InChIInChI=1S/C10H12N2O3/c11-10(14)8-3-1-2-7(6-8)4-5-9(13)12-15/h1-3,6,15H,4-5H2,(H2,11,14)(H,12,13)
InChIKeyZFKXNKQMRIRPCF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.22
Rot. Bonds4

About 3-[3-(hydroxyamino)-3-oxopropyl]benzamide

3-[3-(hydroxyamino)-3-oxopropyl]benzamide (PubChem CID 141465309) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[3-(hydroxyamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-[3-(hydroxyamino)-3-oxopropyl]benzamide
PubChem CID141465309
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-[3-(hydroxyamino)-3-oxopropyl]benzamide
SMILESNC(=O)c1cccc(CCC(=O)NO)c1
InChIInChI=1S/C10H12N2O3/c11-10(14)8-3-1-2-7(6-8)4-5-9(13)12-15/h1-3,6,15H,4-5H2,(H2,11,14)(H,12,13)
InChIKeyZFKXNKQMRIRPCF-UHFFFAOYSA-N
XLogP0.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.22
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

3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
N-hydroxy-3-[3-(2-methoxyethyl)phenyl]propanamide
CID 142811758
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-methylpropyl)benzamide
CID 23130390
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[4-[(3-carbamoylphenyl)methylamino]phenyl]propanoic acid
CID 24825506
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxyamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-[3-(hydroxyamino)-3-oxopropyl]benzamide (CID 141465309) is 3-[3-(hydroxyamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-[3-(hydroxyamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-[3-(hydroxyamino)-3-oxopropyl]benzamide is NC(=O)c1cccc(CCC(=O)NO)c1.
What is the InChIKey of 3-[3-(hydroxyamino)-3-oxopropyl]benzamide?
The InChIKey is ZFKXNKQMRIRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-10(14)8-3-1-2-7(6-8)4-5-9(13)12-15/h1-3,6,15H,4-5H2,(H2,11,14)(H,12,13).
What are the key properties of 3-[3-(hydroxyamino)-3-oxopropyl]benzamide?
3-[3-(hydroxyamino)-3-oxopropyl]benzamide has a molecular weight of 208.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxyamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 141465309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).