2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide

C19H17FN2O2 — CID 90550373

IUPAC2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-21-19(24)17-7-3-2-5-15(17)6-4-12-22-18(23)13-14-8-10-16(20)11-9-14/h2-3,5,7-11H,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyYIPSRQWRPMWDHQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.90
Rot. Bonds4

About 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide

2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide (PubChem CID 90550373) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
PubChem CID90550373
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-21-19(24)17-7-3-2-5-15(17)6-4-12-22-18(23)13-14-8-10-16(20)11-9-14/h2-3,5,7-11H,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyYIPSRQWRPMWDHQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide 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-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
CID 90550364
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
CID 90550420
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
2-[3-[(3,5-difluorophenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553735
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90550236
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-[3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]prop-1-ynyl]-N-methylbenzamide
CID 90550473
N-methyl-2-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553652
N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
CID 90553669
2-[3-[(5-fluoro-2-methoxyphenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553698
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90550311

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide?
The IUPAC name of 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide (CID 90550373) is 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide.
What is the SMILES notation for 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide?
The canonical SMILES for 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide is CNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide?
The InChIKey is YIPSRQWRPMWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-21-19(24)17-7-3-2-5-15(17)6-4-12-22-18(23)13-14-8-10-16(20)11-9-14/h2-3,5,7-11H,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide?
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide has a molecular weight of 324.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide is sourced from PubChem (CID 90550373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).