4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide

C13H18Cl2N2O — CID 82832777

IUPAC4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-9(5-2)17(3)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,4-5,16H2,1-3H3
InChIKeyWYOFWDIBJNKIRY-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.84
Rot. Bonds4

About 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide

4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide (PubChem CID 82832777) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
PubChem CID82832777
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-9(5-2)17(3)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,4-5,16H2,1-3H3
InChIKeyWYOFWDIBJNKIRY-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
4-amino-3,5-dichloro-N-hydroxy-N-methylbenzamide
CID 130956892
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104931694

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide (CID 82832777) is 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide?
The InChIKey is WYOFWDIBJNKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-9(5-2)17(3)13(18)8-6-10(14)12(16)11(15)7-8/h6-7,9H,4-5,16H2,1-3H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide?
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide has a molecular weight of 289.21 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 82832777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).