3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide

C18H19BrN2O3 — CID 4931652

IUPAC3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-10-24-16-7-5-4-6-14(16)18(23)21-20-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMVESYTQKLIOGSJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.62
Rot. Bonds5

About 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide

3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide (PubChem CID 4931652) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
PubChem CID4931652
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-10-24-16-7-5-4-6-14(16)18(23)21-20-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMVESYTQKLIOGSJ-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
5-bromo-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-propoxybenzamide
CID 17352415
3-bromo-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343234
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
3-bromo-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 17339553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide (CID 4931652) is 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide?
The InChIKey is MVESYTQKLIOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-10-24-16-7-5-4-6-14(16)18(23)21-20-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide?
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide has a molecular weight of 391.27 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4931652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).