3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C17H19N3O — CID 61092120

IUPAC3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H19N3O/c18-13-8-12(9-14(19)10-13)17(21)20-16-7-3-5-11-4-1-2-6-15(11)16/h3,5,7-10H,1-2,4,6,18-19H2,(H,20,21)
InChIKeySJBFEOOIIHRMSB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds2

About 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 61092120) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID61092120
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cccc3c2CCCC3)c1
InChIInChI=1S/C17H19N3O/c18-13-8-12(9-14(19)10-13)17(21)20-16-7-3-5-11-4-1-2-6-15(11)16/h3,5,7-10H,1-2,4,6,18-19H2,(H,20,21)
InChIKeySJBFEOOIIHRMSB-UHFFFAOYSA-N
XLogP2.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
6-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62060497
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235
1-(4-aminophenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 43468950
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 16545685
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
ethyl 3-nitro-5-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)benzoate
CID 16959263

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 61092120) is 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is Nc1cc(N)cc(C(=O)Nc2cccc3c2CCCC3)c1.
What is the InChIKey of 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is SJBFEOOIIHRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-13-8-12(9-14(19)10-13)17(21)20-16-7-3-5-11-4-1-2-6-15(11)16/h3,5,7-10H,1-2,4,6,18-19H2,(H,20,21).
What are the key properties of 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 61092120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).