3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid

C19H21ClN2O5 — CID 171154533

IUPAC3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
SMILESCN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H19ClN2O.C2H2O4/c1-20(13-14-6-3-2-4-7-14)11-10-17(21)19-16-9-5-8-15(18)12-16;3-1(4)2(5)6/h2-9,12H,10-11,13H2,1H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyUXTIIJUWJSNABS-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.96
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid

3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid (PubChem CID 171154533) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
PubChem CID171154533
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
SMILESCN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H19ClN2O.C2H2O4/c1-20(13-14-6-3-2-4-7-14)11-10-17(21)19-16-9-5-8-15(18)12-16;3-1(4)2(5)6/h2-9,12H,10-11,13H2,1H3,(H,19,21);(H,3,4)(H,5,6)
InChIKeyUXTIIJUWJSNABS-UHFFFAOYSA-N
XLogP2.96
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid (CID 171154533) is 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid is CN(CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid?
The InChIKey is UXTIIJUWJSNABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O.C2H2O4/c1-20(13-14-6-3-2-4-7-14)11-10-17(21)19-16-9-5-8-15(18)12-16;3-1(4)2(5)6/h2-9,12H,10-11,13H2,1H3,(H,19,21);(H,3,4)(H,5,6).
What are the key properties of 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid?
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid has a molecular weight of 392.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid is sourced from PubChem (CID 171154533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).