5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide

C18H19BrN2O3 — CID 17351741

IUPAC5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C18H19BrN2O3/c1-3-10-24-16-9-8-13(19)11-15(16)18(23)21-20-17(22)14-7-5-4-6-12(14)2/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBZZBZUUGYZBDSG-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.62
Rot. Bonds5

About 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide

5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide (PubChem CID 17351741) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
PubChem CID17351741
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C18H19BrN2O3/c1-3-10-24-16-9-8-13(19)11-15(16)18(23)21-20-17(22)14-7-5-4-6-12(14)2/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBZZBZUUGYZBDSG-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

5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-N'-(2-iodobenzoyl)-2-propoxybenzohydrazide
CID 17351725
5-bromo-N'-(2-prop-2-enoxybenzoyl)-2-propoxybenzohydrazide
CID 17351821
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351164
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
(2-methylphenyl) 5-bromo-2-propoxybenzoate
CID 23012690
5-bromo-2-hexoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 17343868
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
5-bromo-2-propoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 17351395
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide (CID 17351741) is 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide is CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1C.
What is the InChIKey of 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide?
The InChIKey is BZZBZUUGYZBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-10-24-16-9-8-13(19)11-15(16)18(23)21-20-17(22)14-7-5-4-6-12(14)2/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide?
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide 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 5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 17351741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).