2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid

C15H20ClN3O9 — CID 69275253

IUPAC2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid
SMILESCN(CCNCC(N)=O)c1ccc(Cl)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C11H16ClN3O.2C2H2O4/c1-15(7-6-14-8-11(13)16)10-4-2-9(12)3-5-10;2*3-1(4)2(5)6/h2-5,14H,6-8H2,1H3,(H2,13,16);2*(H,3,4)(H,5,6)
InChIKeyHKGNPVAMHRRIRO-UHFFFAOYSA-N
MW421.79 g/mol
LogP-0.84
Rot. Bonds6

About 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid

2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid (PubChem CID 69275253) has the molecular formula C15H20ClN3O9 and a molecular weight of 421.79 g/mol. Its IUPAC name is 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid.

Molecular Properties

Compound Name2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid
PubChem CID69275253
Molecular FormulaC15H20ClN3O9
Molecular Weight421.79 g/mol
Exact Mass421.09
IUPAC Name2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid
SMILESCN(CCNCC(N)=O)c1ccc(Cl)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C11H16ClN3O.2C2H2O4/c1-15(7-6-14-8-11(13)16)10-4-2-9(12)3-5-10;2*3-1(4)2(5)6/h2-5,14H,6-8H2,1H3,(H2,13,16);2*(H,3,4)(H,5,6)
InChIKeyHKGNPVAMHRRIRO-UHFFFAOYSA-N
XLogP-0.84
TPSA207.56 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.79
LogP ≤ 5-0.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-N-methylanilino)butanoic acid
CID 19918557
N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206325
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
3-amino-4-(4-chloro-N-methylanilino)butanoic acid
CID 115241545
N-[2-[2-(4-chloro-N-methylanilino)ethylamino]ethyl]isoquinoline-5-sulfonamide;oxalic acid
CID 157485262
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447419
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
2-(4-chloroanilino)acetamide
CID 22320740
N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
CID 110664517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid?
The IUPAC name of 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid (CID 69275253) is 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid.
What is the SMILES notation for 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid?
The canonical SMILES for 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid is CN(CCNCC(N)=O)c1ccc(Cl)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid?
The InChIKey is HKGNPVAMHRRIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O.2C2H2O4/c1-15(7-6-14-8-11(13)16)10-4-2-9(12)3-5-10;2*3-1(4)2(5)6/h2-5,14H,6-8H2,1H3,(H2,13,16);2*(H,3,4)(H,5,6).
What are the key properties of 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid?
2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid has a molecular weight of 421.79 g/mol, XLogP of -0.84, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-N-methylanilino)ethylamino]acetamide;oxalic acid is sourced from PubChem (CID 69275253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).