7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide

C21H15NO2 — CID 59326229

IUPAC7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccc3ccc(C(C)=O)cc3c2)cc1
InChIInChI=1S/C21H15NO2/c1-3-15-4-10-20(11-5-15)22-21(24)18-9-7-16-6-8-17(14(2)23)12-19(16)13-18/h1,4-13H,2H3,(H,22,24)
InChIKeyBLLWXIUBCAFKFJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.28
Rot. Bonds3

About 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide

7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide (PubChem CID 59326229) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide
PubChem CID59326229
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccc3ccc(C(C)=O)cc3c2)cc1
InChIInChI=1S/C21H15NO2/c1-3-15-4-10-20(11-5-15)22-21(24)18-9-7-16-6-8-17(14(2)23)12-19(16)13-18/h1,4-13H,2H3,(H,22,24)
InChIKeyBLLWXIUBCAFKFJ-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
3,5-diamino-N-(4-ethynylphenyl)benzamide
CID 59572021
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-(4-ethynylphenyl)-2,3,4,5,6-pentafluorobenzamide
CID 141392987
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
sodium 3,5-bis[(4-ethynylbenzoyl)amino]benzoate
CID 59499550
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide (CID 59326229) is 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide is C#Cc1ccc(NC(=O)c2ccc3ccc(C(C)=O)cc3c2)cc1.
What is the InChIKey of 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide?
The InChIKey is BLLWXIUBCAFKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-3-15-4-10-20(11-5-15)22-21(24)18-9-7-16-6-8-17(14(2)23)12-19(16)13-18/h1,4-13H,2H3,(H,22,24).
What are the key properties of 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide?
7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(4-ethynylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 59326229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).