N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C18H18N2O2 — CID 9471660

IUPACN'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-20-18(22)16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,10-12H,4-6,9H2,(H,19,21)(H,20,22)
InChIKeyBFVUVKCXYQLOAS-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.64
Rot. Bonds2

About N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 9471660) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID9471660
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-20-18(22)16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,10-12H,4-6,9H2,(H,19,21)(H,20,22)
InChIKeyBFVUVKCXYQLOAS-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9328814
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
N'-(4-oxo-3H-quinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 155949167
N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703574
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
N-(2-cyanophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23963756

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 9471660) is N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is BFVUVKCXYQLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(14-7-2-1-3-8-14)19-20-18(22)16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,10-12H,4-6,9H2,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 294.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 9471660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).