3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C17H19N3O — CID 62305417

IUPAC3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H19N3O/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,7-8,10,16H,5-6,9,18-19H2,(H,20,21)
InChIKeyMJPKAPPJZOCDFO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.14
Rot. Bonds2

About 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 62305417) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID62305417
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESNc1cc(N)cc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H19N3O/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,7-8,10,16H,5-6,9,18-19H2,(H,20,21)
InChIKeyMJPKAPPJZOCDFO-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 62305417) is 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is Nc1cc(N)cc(C(=O)NC2CCc3ccccc3C2)c1.
What is the InChIKey of 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is MJPKAPPJZOCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-7-13(8-15(19)10-14)17(21)20-16-6-5-11-3-1-2-4-12(11)9-16/h1-4,7-8,10,16H,5-6,9,18-19H2,(H,20,21).
What are the key properties of 3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.14, 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-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 62305417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).