4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

C12H15Cl2N3O2 — CID 82833484

IUPAC4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6,15H2,1-3H3
InChIKeyHLVAXKNHUAGKTA-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 82833484) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID82833484
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6,15H2,1-3H3
InChIKeyHLVAXKNHUAGKTA-UHFFFAOYSA-N
XLogP1.74
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892
N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188388
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 63660537
4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104931694
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 82832587

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (CID 82833484) is 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is HLVAXKNHUAGKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-16(2)10(18)6-17(3)12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,6,15H2,1-3H3.
What are the key properties of 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 304.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 82833484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).