3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide

C21H25BrN2O4 — CID 17342923

IUPAC3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br
InChIInChI=1S/C21H25BrN2O4/c1-4-11-27-19-10-7-16(12-18(19)22)21(26)24-23-20(25)15-5-8-17(9-6-15)28-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRPSIPKYATOTBDL-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.35
Rot. Bonds8

About 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide

3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide (PubChem CID 17342923) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
PubChem CID17342923
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br
InChIInChI=1S/C21H25BrN2O4/c1-4-11-27-19-10-7-16(12-18(19)22)21(26)24-23-20(25)15-5-8-17(9-6-15)28-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRPSIPKYATOTBDL-UHFFFAOYSA-N
XLogP4.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930169
5-bromo-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-2-propoxybenzamide
CID 17352443
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
3-bromo-N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
methyl N-[(3-bromo-4-butoxybenzoyl)amino]carbamate
CID 4955902
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide (CID 17342923) is 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br.
What is the InChIKey of 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide?
The InChIKey is RPSIPKYATOTBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-4-11-27-19-10-7-16(12-18(19)22)21(26)24-23-20(25)15-5-8-17(9-6-15)28-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide?
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide has a molecular weight of 449.35 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 17342923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).