2-fluoro-N-(2-hex-1-ynylphenyl)benzamide

C19H18FNO — CID 102450592

IUPAC2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
SMILESCCCCC#Cc1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20/h6-9,11-14H,2-4H2,1H3,(H,21,22)
InChIKeyKKSAUQYUFRRHOZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.62
Rot. Bonds4

About 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide

2-fluoro-N-(2-hex-1-ynylphenyl)benzamide (PubChem CID 102450592) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
PubChem CID102450592
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
SMILESCCCCC#Cc1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H18FNO/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20/h6-9,11-14H,2-4H2,1H3,(H,21,22)
InChIKeyKKSAUQYUFRRHOZ-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.62
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-ynyl-N-phenylbenzamide
CID 102337761
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
N-(2-bromophenyl)-2-(difluoromethyl)benzamide;2-(difluoromethyl)-N-(2-hex-1-ynylphenyl)benzamide;hex-1-yne;bromide
CID 159531718
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
2-hex-1-ynylbenzoyl chloride
CID 10727684
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide (CID 102450592) is 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide is CCCCC#Cc1ccccc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide?
The InChIKey is KKSAUQYUFRRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-2-3-4-5-10-15-11-6-9-14-18(15)21-19(22)16-12-7-8-13-17(16)20/h6-9,11-14H,2-4H2,1H3,(H,21,22).
What are the key properties of 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide?
2-fluoro-N-(2-hex-1-ynylphenyl)benzamide has a molecular weight of 295.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hex-1-ynylphenyl)benzamide is sourced from PubChem (CID 102450592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).