3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

C13H19ClN4O2 — CID 106914665

IUPAC3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-16-12(19)5-6-18(2)8-13(20)17-11-4-3-9(15)7-10(11)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCNNYPQSOZTXBST-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.93
Rot. Bonds6

About 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (PubChem CID 106914665) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
PubChem CID106914665
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-16-12(19)5-6-18(2)8-13(20)17-11-4-3-9(15)7-10(11)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCNNYPQSOZTXBST-UHFFFAOYSA-N
XLogP0.93
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (CID 106914665) is 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The InChIKey is CNNYPQSOZTXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-16-12(19)5-6-18(2)8-13(20)17-11-4-3-9(15)7-10(11)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).