3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide

C19H20F2N2O2 — CID 113125495

IUPAC3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2c(F)cccc2F)C(C)=O)cc1
InChIInChI=1S/C19H20F2N2O2/c1-3-14-7-9-15(10-8-14)23(13(2)24)12-11-18(25)22-19-16(20)5-4-6-17(19)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNTKYNZDNDWHYFM-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.91
Rot. Bonds6

About 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide

3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 113125495) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID113125495
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2c(F)cccc2F)C(C)=O)cc1
InChIInChI=1S/C19H20F2N2O2/c1-3-14-7-9-15(10-8-14)23(13(2)24)12-11-18(25)22-19-16(20)5-4-6-17(19)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNTKYNZDNDWHYFM-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-[N-acetyl-4-(dimethylamino)anilino]-N-(2-fluorophenyl)propanamide
CID 113131770
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
ethyl 2-[3-(N-acetyl-4-ethylanilino)propanoylamino]benzoate
CID 113125489

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide (CID 113125495) is 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide is CCc1ccc(N(CCC(=O)Nc2c(F)cccc2F)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is NTKYNZDNDWHYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-3-14-7-9-15(10-8-14)23(13(2)24)12-11-18(25)22-19-16(20)5-4-6-17(19)21/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 113125495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).