3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

C17H13F2NO2 — CID 90549224

IUPAC3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1ccccc1C#CCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2NO2/c1-22-16-7-3-2-5-12(16)6-4-10-20-17(21)13-8-9-14(18)15(19)11-13/h2-3,5,7-9,11H,10H2,1H3,(H,20,21)
InChIKeyQEYFWDRCUOVDJT-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.75
Rot. Bonds3

About 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (PubChem CID 90549224) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
PubChem CID90549224
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1ccccc1C#CCNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2NO2/c1-22-16-7-3-2-5-12(16)6-4-10-20-17(21)13-8-9-14(18)15(19)11-13/h2-3,5,7-9,11H,10H2,1H3,(H,20,21)
InChIKeyQEYFWDRCUOVDJT-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
N-[3-(2-methoxyphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549139
4-(4-chlorophenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90549144
N-[3-(4-acetylphenyl)prop-2-ynyl]-3,4-difluorobenzamide
CID 90549499
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
1-[(4-chlorophenyl)methyl]-3-[3-(2-methoxyphenyl)prop-2-ynyl]urea
CID 90553175
3,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576879
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
CID 90552571
2-(4-fluorophenyl)sulfanyl-N-[3-(2-methoxyphenyl)prop-2-ynyl]acetamide
CID 90549331
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (CID 90549224) is 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is COc1ccccc1C#CCNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The InChIKey is QEYFWDRCUOVDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-22-16-7-3-2-5-12(16)6-4-10-20-17(21)13-8-9-14(18)15(19)11-13/h2-3,5,7-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide has a molecular weight of 301.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is sourced from PubChem (CID 90549224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).