2-hex-1-ynyl-N-phenylbenzamide

C19H19NO — CID 102337761

IUPAC2-hex-1-ynyl-N-phenylbenzamide
SMILESCCCCC#Cc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19NO/c1-2-3-4-6-11-16-12-9-10-15-18(16)19(21)20-17-13-7-5-8-14-17/h5,7-10,12-15H,2-4H2,1H3,(H,20,21)
InChIKeyOZCNUOKIZWAZBU-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.48
Rot. Bonds4

About 2-hex-1-ynyl-N-phenylbenzamide

2-hex-1-ynyl-N-phenylbenzamide (PubChem CID 102337761) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-hex-1-ynyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-hex-1-ynyl-N-phenylbenzamide
PubChem CID102337761
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-hex-1-ynyl-N-phenylbenzamide
SMILESCCCCC#Cc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19NO/c1-2-3-4-6-11-16-12-9-10-15-18(16)19(21)20-17-13-7-5-8-14-17/h5,7-10,12-15H,2-4H2,1H3,(H,20,21)
InChIKeyOZCNUOKIZWAZBU-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hex-1-ynylbenzoyl chloride
CID 10727684
2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
CID 102450592
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
2-[2-(4-methylphenyl)ethynyl]-N-phenylbenzamide
CID 102453859
2-pent-1-ynylbenzoic acid
CID 10419975
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-butyl-N-phenylbenzamide
CID 3695058
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
2-ethynyl-N-phenylbenzamide
CID 25216325
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268
N-(4-methylphenyl)-2-(2-phenylethynyl)benzamide
CID 135017880
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynyl-N-phenylbenzamide?
The IUPAC name of 2-hex-1-ynyl-N-phenylbenzamide (CID 102337761) is 2-hex-1-ynyl-N-phenylbenzamide.
What is the SMILES notation for 2-hex-1-ynyl-N-phenylbenzamide?
The canonical SMILES for 2-hex-1-ynyl-N-phenylbenzamide is CCCCC#Cc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-hex-1-ynyl-N-phenylbenzamide?
The InChIKey is OZCNUOKIZWAZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-3-4-6-11-16-12-9-10-15-18(16)19(21)20-17-13-7-5-8-14-17/h5,7-10,12-15H,2-4H2,1H3,(H,20,21).
What are the key properties of 2-hex-1-ynyl-N-phenylbenzamide?
2-hex-1-ynyl-N-phenylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynyl-N-phenylbenzamide is sourced from PubChem (CID 102337761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).