N-(2-bromobenzoyl)naphthalene-1-carbohydrazide

C18H13BrN2O2 — CID 23622739

IUPACN-(2-bromobenzoyl)naphthalene-1-carbohydrazide
SMILESNN(C(=O)c1ccccc1Br)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O2/c19-16-11-4-3-9-15(16)18(23)21(20)17(22)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,20H2
InChIKeyGGLGOVKQDUXHAC-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.76
Rot. Bonds2

About N-(2-bromobenzoyl)naphthalene-1-carbohydrazide

N-(2-bromobenzoyl)naphthalene-1-carbohydrazide (PubChem CID 23622739) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(2-bromobenzoyl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN-(2-bromobenzoyl)naphthalene-1-carbohydrazide
PubChem CID23622739
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC NameN-(2-bromobenzoyl)naphthalene-1-carbohydrazide
SMILESNN(C(=O)c1ccccc1Br)C(=O)c1cccc2ccccc12
InChIInChI=1S/C18H13BrN2O2/c19-16-11-4-3-9-15(16)18(23)21(20)17(22)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,20H2
InChIKeyGGLGOVKQDUXHAC-UHFFFAOYSA-N
XLogP3.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
CID 56977411
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
N-fluoro-N-phenylnaphthalene-1-carboxamide
CID 90862687
CID 129133768
CID 129133768
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
N-(3-amino-2-hydroxy-5-phenylpentanoyl)naphthalene-1-carbohydrazide
CID 85128191
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
1-[carbamoyl(sulfinato)carbamoyl]naphthalene
CID 174669663
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobenzoyl)naphthalene-1-carbohydrazide?
The IUPAC name of N-(2-bromobenzoyl)naphthalene-1-carbohydrazide (CID 23622739) is N-(2-bromobenzoyl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N-(2-bromobenzoyl)naphthalene-1-carbohydrazide?
The canonical SMILES for N-(2-bromobenzoyl)naphthalene-1-carbohydrazide is NN(C(=O)c1ccccc1Br)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromobenzoyl)naphthalene-1-carbohydrazide?
The InChIKey is GGLGOVKQDUXHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-16-11-4-3-9-15(16)18(23)21(20)17(22)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,20H2.
What are the key properties of N-(2-bromobenzoyl)naphthalene-1-carbohydrazide?
N-(2-bromobenzoyl)naphthalene-1-carbohydrazide has a molecular weight of 369.22 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobenzoyl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 23622739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).