3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

C20H23FN2O3 — CID 113126674

IUPAC3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(18-9-5-4-8-17(18)21)14-12-20(25)22-13-11-16-7-3-6-10-19(16)26-2/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyWVJFKHDKBSZCNS-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.94
Rot. Bonds8

About 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 113126674) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID113126674
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(18-9-5-4-8-17(18)21)14-12-20(25)22-13-11-16-7-3-6-10-19(16)26-2/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyWVJFKHDKBSZCNS-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
3-(N-acetyl-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113129983
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 113126674) is 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCN(C(C)=O)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is WVJFKHDKBSZCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(24)23(18-9-5-4-8-17(18)21)14-12-20(25)22-13-11-16-7-3-6-10-19(16)26-2/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113126674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).