(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide

C16H18BrNO3 — CID 58248651

IUPAC(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
SMILESO=C(/C=C\C=C\c1ccc(Br)cc1)CCCCC(=O)NO
InChIInChI=1S/C16H18BrNO3/c17-14-11-9-13(10-12-14)5-1-2-6-15(19)7-3-4-8-16(20)18-21/h1-2,5-6,9-12,21H,3-4,7-8H2,(H,18,20)/b5-1+,6-2-
InChIKeyWBDAJKZBXQCUEL-KQBQUPHGSA-N
MW352.23 g/mol
LogP3.65
Rot. Bonds8

About (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide

(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide (PubChem CID 58248651) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide.

Molecular Properties

Compound Name(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
PubChem CID58248651
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide
SMILESO=C(/C=C\C=C\c1ccc(Br)cc1)CCCCC(=O)NO
InChIInChI=1S/C16H18BrNO3/c17-14-11-9-13(10-12-14)5-1-2-6-15(19)7-3-4-8-16(20)18-21/h1-2,5-6,9-12,21H,3-4,7-8H2,(H,18,20)/b5-1+,6-2-
InChIKeyWBDAJKZBXQCUEL-KQBQUPHGSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)penta-2,4-dienoic acid
CID 582037
(E)-N-hydroxy-8-(4-methylphenyl)-6-oxooct-7-enamide
CID 58248631
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
1-(4-bromophenyl)-5-hydroxypent-1-en-3-one
CID 175031144
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
(3E,5E)-6-(4-bromophenyl)-1,1,1-trifluorohexa-3,5-dien-2-one
CID 10780875
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
1,8-bis(4-bromophenyl)octa-3,5-diene-2,7-dione
CID 71405314

Frequently Asked Questions

What is the IUPAC name of (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide?
The IUPAC name of (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide (CID 58248651) is (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide.
What is the SMILES notation for (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide?
The canonical SMILES for (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide is O=C(/C=C\C=C\c1ccc(Br)cc1)CCCCC(=O)NO.
What is the InChIKey of (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide?
The InChIKey is WBDAJKZBXQCUEL-KQBQUPHGSA-N. The full InChI is InChI=1S/C16H18BrNO3/c17-14-11-9-13(10-12-14)5-1-2-6-15(19)7-3-4-8-16(20)18-21/h1-2,5-6,9-12,21H,3-4,7-8H2,(H,18,20)/b5-1+,6-2-.
What are the key properties of (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide?
(7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide has a molecular weight of 352.23 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9E)-10-(4-bromophenyl)-N-hydroxy-6-oxodeca-7,9-dienamide is sourced from PubChem (CID 58248651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).