4-bromo-N'-propylbenzohydrazide

C10H13BrN2O — CID 71306437

IUPAC4-bromo-N'-propylbenzohydrazide
SMILESCCCNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-2-7-12-13-10(14)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyOTHBGAGRQLSYFV-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.09
Rot. Bonds4

About 4-bromo-N'-propylbenzohydrazide

4-bromo-N'-propylbenzohydrazide (PubChem CID 71306437) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-N'-propylbenzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-propylbenzohydrazide
PubChem CID71306437
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-bromo-N'-propylbenzohydrazide
SMILESCCCNNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-2-7-12-13-10(14)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyOTHBGAGRQLSYFV-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromobenzohydrazide
CID 22219
4-Bromobenzamide
CID 69683
UF010
CID 4596836
4-bromo-N'-cyclohexylidenebenzohydrazide
CID 786855
2-Bromobenzohydrazide
CID 101460
m-Bromobenzohydrazide
CID 520941
2-bromo-N'-(3-methylbenzoyl)benzohydrazide
CID 708039
1-Benzoyl-2-isopropylhydrazine
CID 18869
Benzoic acid, m-bromo-, benzoylhydrazide
CID 52256
N'-acetyl-4-bromobenzohydrazide
CID 99357
Benzoic acid, 2-acetylhydrazide
CID 256983
4-Bromo-N-methylbenzamide
CID 186113

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-propylbenzohydrazide?
The IUPAC name of 4-bromo-N'-propylbenzohydrazide (CID 71306437) is 4-bromo-N'-propylbenzohydrazide.
What is the SMILES notation for 4-bromo-N'-propylbenzohydrazide?
The canonical SMILES for 4-bromo-N'-propylbenzohydrazide is CCCNNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-propylbenzohydrazide?
The InChIKey is OTHBGAGRQLSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-7-12-13-10(14)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N'-propylbenzohydrazide?
4-bromo-N'-propylbenzohydrazide has a molecular weight of 257.13 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-propylbenzohydrazide is sourced from PubChem (CID 71306437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).