3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

C15H20Cl2N2O3 — CID 113134275

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-11(20)19(13-6-3-5-12(16)15(13)17)9-7-14(21)18-8-4-10-22-2/h3,5-6H,4,7-10H2,1-2H3,(H,18,21)
InChIKeyCMWCMULUOFACKX-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.89
Rot. Bonds8

About 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 113134275) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID113134275
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-11(20)19(13-6-3-5-12(16)15(13)17)9-7-14(21)18-8-4-10-22-2/h3,5-6H,4,7-10H2,1-2H3,(H,18,21)
InChIKeyCMWCMULUOFACKX-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (CID 113134275) is 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is CMWCMULUOFACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-11(20)19(13-6-3-5-12(16)15(13)17)9-7-14(21)18-8-4-10-22-2/h3,5-6H,4,7-10H2,1-2H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 347.24 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113134275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).