3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

C20H22ClFN2O2 — CID 113127554

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H22ClFN2O2/c1-14-18(21)4-3-5-19(14)24(15(2)25)13-11-20(26)23-12-10-16-6-8-17(22)9-7-16/h3-9H,10-13H2,1-2H3,(H,23,26)
InChIKeyQNJCAXNNQXPYKO-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.89
Rot. Bonds7

About 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 113127554) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID113127554
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H22ClFN2O2/c1-14-18(21)4-3-5-19(14)24(15(2)25)13-11-20(26)23-12-10-16-6-8-17(22)9-7-16/h3-9H,10-13H2,1-2H3,(H,23,26)
InChIKeyQNJCAXNNQXPYKO-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113168862
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113127582
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 113127554) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1C.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is QNJCAXNNQXPYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-14-18(21)4-3-5-19(14)24(15(2)25)13-11-20(26)23-12-10-16-6-8-17(22)9-7-16/h3-9H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).