2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide

C21H25BrN2O3 — CID 4950819

IUPAC2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H25BrN2O3/c1-2-3-4-5-8-15-27-17-13-11-16(12-14-17)20(25)23-24-21(26)18-9-6-7-10-19(18)22/h6-7,9-14H,2-5,8,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYGQYCPHUBVRTMH-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.87
Rot. Bonds9

About 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide

2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide (PubChem CID 4950819) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
PubChem CID4950819
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
SMILESCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H25BrN2O3/c1-2-3-4-5-8-15-27-17-13-11-16(12-14-17)20(25)23-24-21(26)18-9-6-7-10-19(18)22/h6-7,9-14H,2-5,8,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyYGQYCPHUBVRTMH-UHFFFAOYSA-N
XLogP4.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
2-bromo-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956682
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide (CID 4950819) is 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide is CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide?
The InChIKey is YGQYCPHUBVRTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-2-3-4-5-8-15-27-17-13-11-16(12-14-17)20(25)23-24-21(26)18-9-6-7-10-19(18)22/h6-7,9-14H,2-5,8,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide?
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide has a molecular weight of 433.35 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4950819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).