N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide

C19H18FNO2 — CID 90547946

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC#Cc2ccccc2F)cc1
InChIInChI=1S/C19H18FNO2/c1-23-17-11-8-15(9-12-17)10-13-19(22)21-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,10,13-14H2,1H3,(H,21,22)
InChIKeyJSRAPSBVWDVMAE-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.93
Rot. Bonds5

About N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide

N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 90547946) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
PubChem CID90547946
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC#Cc2ccccc2F)cc1
InChIInChI=1S/C19H18FNO2/c1-23-17-11-8-15(9-12-17)10-13-19(22)21-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,10,13-14H2,1H3,(H,21,22)
InChIKeyJSRAPSBVWDVMAE-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide 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-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
1-[(4-fluorophenyl)methyl]-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552596
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide (CID 90547946) is N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC#Cc2ccccc2F)cc1.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is JSRAPSBVWDVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-23-17-11-8-15(9-12-17)10-13-19(22)21-14-4-6-16-5-2-3-7-18(16)20/h2-3,5,7-9,11-12H,10,13-14H2,1H3,(H,21,22).
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 311.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 90547946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).