3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

C14H18BrN3O4 — CID 46890584

IUPAC3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1cccc(Br)c1)NO
InChIInChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21)
InChIKeyFKBINUQUENYAFV-UHFFFAOYSA-N
MW372.22 g/mol
LogP1.95
Rot. Bonds7

About 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (PubChem CID 46890584) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
PubChem CID46890584
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1cccc(Br)c1)NO
InChIInChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21)
InChIKeyFKBINUQUENYAFV-UHFFFAOYSA-N
XLogP1.95
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-propylbenzamide
CID 3118655
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
CID 11381650
7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide
CID 11426781
Benzamide, N-(((6-(hydroxyamino)-6-oxohexyl)amino)carbonyl)-
CID 11449246
3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CID 78673861
N-(3,5-dibromobenzoyl)piperidine-1-carboxamide
CID 2741479
Benzamide, 3-bromo-N-allyl-
CID 2054582
3-bromo-N-isopropylbenzamide
CID 669311
N-(2-aminoethyl)-3-bromobenzamide
CID 10705366
6-(3-Benzoyl-1-benzyl-ureido)-hexanoic acid hydroxyamide
CID 11176541
3-bromo-N-pentan-3-ylbenzamide
CID 884947
N-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)m-bromobenzamide
CID 2148535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The IUPAC name of 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (CID 46890584) is 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The canonical SMILES for 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is O=C(CCCCCNC(=O)NC(=O)c1cccc(Br)c1)NO.
What is the InChIKey of 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The InChIKey is FKBINUQUENYAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c15-11-6-4-5-10(9-11)13(20)17-14(21)16-8-3-1-2-7-12(19)18-22/h4-6,9,22H,1-3,7-8H2,(H,18,19)(H2,16,17,20,21).
What are the key properties of 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide has a molecular weight of 372.22 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is sourced from PubChem (CID 46890584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).