5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride

C13H19Cl2N3O2 — CID 119713991

IUPAC5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Cl)cc1C(=O)NC.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(7-15-2)12(18)17-11-5-4-9(14)6-10(11)13(19)16-3;/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyFAXHGTZIJUKMGP-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.92
Rot. Bonds5

About 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride

5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride (PubChem CID 119713991) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
PubChem CID119713991
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Cl)cc1C(=O)NC.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(7-15-2)12(18)17-11-5-4-9(14)6-10(11)13(19)16-3;/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyFAXHGTZIJUKMGP-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119711940
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
5-chloro-N-[(3S)-6,6-difluoro-1-(methylamino)-1,2-dioxoheptan-3-yl]-2-(2-methylpropanoylamino)benzamide
CID 171845332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride?
The IUPAC name of 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride (CID 119713991) is 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(Cl)cc1C(=O)NC.Cl.
What is the InChIKey of 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride?
The InChIKey is FAXHGTZIJUKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.ClH/c1-8(7-15-2)12(18)17-11-5-4-9(14)6-10(11)13(19)16-3;/h4-6,8,15H,7H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride?
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119713991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).