7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid

C14H17BrN2O3 — CID 23749398

IUPAC7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O3/c15-12-8-6-11(7-9-12)10-16-17-13(18)4-2-1-3-5-14(19)20/h6-10H,1-5H2,(H,17,18)(H,19,20)/b16-10+
InChIKeyQVWDNCZNJZSTNP-MHWRWJLKSA-N
MW341.20 g/mol
LogP2.93
Rot. Bonds8

About 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid

7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid (PubChem CID 23749398) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
PubChem CID23749398
Molecular FormulaC14H17BrN2O3
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC Name7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O3/c15-12-8-6-11(7-9-12)10-16-17-13(18)4-2-1-3-5-14(19)20/h6-10H,1-5H2,(H,17,18)(H,19,20)/b16-10+
InChIKeyQVWDNCZNJZSTNP-MHWRWJLKSA-N
XLogP2.93
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23864469
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
8-oxo-8-[(2E)-2-[(4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]octanoic acid
CID 23902604
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6380374

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The IUPAC name of 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid (CID 23749398) is 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The canonical SMILES for 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
The InChIKey is QVWDNCZNJZSTNP-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-12-8-6-11(7-9-12)10-16-17-13(18)4-2-1-3-5-14(19)20/h6-10H,1-5H2,(H,17,18)(H,19,20)/b16-10+.
What are the key properties of 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid?
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid has a molecular weight of 341.20 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid is sourced from PubChem (CID 23749398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).