N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C18H17ClN2O2 — CID 9328814

IUPACN'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)CCCC2)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,20,22)(H,21,23)
InChIKeyCUPNSFVZORGMAU-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.29
Rot. Bonds2

About N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 9328814) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID9328814
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)CCCC2)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,20,22)(H,21,23)
InChIKeyCUPNSFVZORGMAU-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.29
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'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N'-(3-chlorobenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 24979555
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9326993
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 9328814) is N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)CCCC2)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is CUPNSFVZORGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 328.80 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 9328814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).