N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H19NO2 — CID 7096327

IUPACN-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C19H19NO2/c1-13(21)15-7-4-8-18(12-15)20-19(22)17-10-9-14-5-2-3-6-16(14)11-17/h4,7-12H,2-3,5-6H2,1H3,(H,20,22)
InChIKeyADFIMHHULHIDCE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.02
Rot. Bonds3

About N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7096327) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7096327
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C19H19NO2/c1-13(21)15-7-4-8-18(12-15)20-19(22)17-10-9-14-5-2-3-6-16(14)11-17/h4,7-12H,2-3,5-6H2,1H3,(H,20,22)
InChIKeyADFIMHHULHIDCE-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7096327) is N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ADFIMHHULHIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(21)15-7-4-8-18(12-15)20-19(22)17-10-9-14-5-2-3-6-16(14)11-17/h4,7-12H,2-3,5-6H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7096327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).