N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide

C17H17BrN2O4 — CID 17357395

IUPACN'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H17BrN2O4/c1-23-9-10-24-15-8-7-13(18)11-14(15)17(22)20-19-16(21)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyTXDCBVYVHPVOTA-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.55
Rot. Bonds6

About N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide

N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide (PubChem CID 17357395) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
PubChem CID17357395
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H17BrN2O4/c1-23-9-10-24-15-8-7-13(18)11-14(15)17(22)20-19-16(21)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyTXDCBVYVHPVOTA-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
CID 17357364
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17357411
5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17357343
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide (CID 17357395) is N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide?
The InChIKey is TXDCBVYVHPVOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-23-9-10-24-15-8-7-13(18)11-14(15)17(22)20-19-16(21)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide?
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide has a molecular weight of 393.24 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).