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

C19H20Cl2N2O2 — CID 113125485

IUPAC3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)cc1
InChIInChI=1S/C19H20Cl2N2O2/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)
InChIKeyUBQQSDRPBCWZLQ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.94
Rot. Bonds6

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

3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113125485) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
PubChem CID113125485
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)cc1
InChIInChI=1S/C19H20Cl2N2O2/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)
InChIKeyUBQQSDRPBCWZLQ-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113132959
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide (CID 113125485) is 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide is CCc1ccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is UBQQSDRPBCWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/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-dichlorophenyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.94, 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-dichlorophenyl)propanamide is sourced from PubChem (CID 113125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).