5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

C14H21Cl2N3O — CID 107183328

IUPAC5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-14(2,8-19(3)4)7-18-13(20)10-5-9(17)6-11(15)12(10)16/h5-6H,7-8,17H2,1-4H3,(H,18,20)
InChIKeyLIIJDZYXPKNKNN-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.89
Rot. Bonds5

About 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (PubChem CID 107183328) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
PubChem CID107183328
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-14(2,8-19(3)4)7-18-13(20)10-5-9(17)6-11(15)12(10)16/h5-6H,7-8,17H2,1-4H3,(H,18,20)
InChIKeyLIIJDZYXPKNKNN-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (CID 107183328) is 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is CN(C)CC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
The InChIKey is LIIJDZYXPKNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-14(2,8-19(3)4)7-18-13(20)10-5-9(17)6-11(15)12(10)16/h5-6H,7-8,17H2,1-4H3,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide has a molecular weight of 318.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 107183328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).