3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C20H22Cl2N2O2 — CID 113134364

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl)c1cccc(C)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-4-23(16-8-5-7-14(2)13-16)19(26)11-12-24(15(3)25)18-10-6-9-17(21)20(18)22/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDIZMQAMHVDCFSU-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.10
Rot. Bonds6

About 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113134364) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113134364
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl)c1cccc(C)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-4-23(16-8-5-7-14(2)13-16)19(26)11-12-24(15(3)25)18-10-6-9-17(21)20(18)22/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDIZMQAMHVDCFSU-UHFFFAOYSA-N
XLogP5.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
CID 113134317
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113134364) is 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is DIZMQAMHVDCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-4-23(16-8-5-7-14(2)13-16)19(26)11-12-24(15(3)25)18-10-6-9-17(21)20(18)22/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 393.31 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113134364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).