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

C12H16ClN3O2 — CID 119294381

IUPAC3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)CCN
InChIInChI=1S/C12H16ClN3O2/c1-16(12(18)5-6-14)8-11(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,17)
InChIKeySWNSPOPGYBBYAR-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.09
Rot. Bonds5

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

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 119294381) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID119294381
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)CCN
InChIInChI=1S/C12H16ClN3O2/c1-16(12(18)5-6-14)8-11(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,17)
InChIKeySWNSPOPGYBBYAR-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 38644459
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38622489
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62013389
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide (CID 119294381) is 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is SWNSPOPGYBBYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(12(18)5-6-14)8-11(17)15-10-4-2-3-9(13)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide?
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 269.73 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 119294381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).