3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

C19H20Cl2N2O2 — CID 109033422

IUPAC3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)14-3-6-17(7-4-14)22-11-9-19(25)23-10-8-15-2-5-16(20)12-18(15)21/h2-7,12,22H,8-11H2,1H3,(H,23,25)
InChIKeyFZJRMFXQMDIHSZ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.36
Rot. Bonds8

About 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide

3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 109033422) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID109033422
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O2/c1-13(24)14-3-6-17(7-4-14)22-11-9-19(25)23-10-8-15-2-5-16(20)12-18(15)21/h2-7,12,22H,8-11H2,1H3,(H,23,25)
InChIKeyFZJRMFXQMDIHSZ-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
2-(3-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 109007008
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
3-(2-cyanoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033435
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide (CID 109033422) is 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is CC(=O)c1ccc(NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is FZJRMFXQMDIHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13(24)14-3-6-17(7-4-14)22-11-9-19(25)23-10-8-15-2-5-16(20)12-18(15)21/h2-7,12,22H,8-11H2,1H3,(H,23,25).
What are the key properties of 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide?
3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).