N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide

C19H15BrN2O3 — CID 2712122

IUPACN'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H15BrN2O3/c1-25-17-11-13-7-3-2-6-12(13)10-15(17)19(24)22-21-18(23)14-8-4-5-9-16(14)20/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyGUEUGWFRWZJMII-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.69
Rot. Bonds3

About N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide

N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide (PubChem CID 2712122) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
PubChem CID2712122
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC NameN'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H15BrN2O3/c1-25-17-11-13-7-3-2-6-12(13)10-15(17)19(24)22-21-18(23)14-8-4-5-9-16(14)20/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyGUEUGWFRWZJMII-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.69
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

2-bromo-N'-[2-(2,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 9399882
3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
CID 9314825
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
CID 101146176
CID 101146176
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N'-[2-(4-ethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 18225115
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 4925074
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide (CID 2712122) is N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide is COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide?
The InChIKey is GUEUGWFRWZJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c1-25-17-11-13-7-3-2-6-12(13)10-15(17)19(24)22-21-18(23)14-8-4-5-9-16(14)20/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide?
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide has a molecular weight of 399.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide is sourced from PubChem (CID 2712122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).