N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide

C13H18Cl2N2O — CID 79196121

IUPACN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(7-16-2)13(18)17(3)8-10-5-4-6-11(14)12(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeySOVQLEDAIXVHDR-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.81
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide

N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 79196121) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID79196121
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(7-16-2)13(18)17(3)8-10-5-4-6-11(14)12(10)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeySOVQLEDAIXVHDR-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 55561197
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
CID 97359708
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119769462
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide (CID 79196121) is N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is SOVQLEDAIXVHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(7-16-2)13(18)17(3)8-10-5-4-6-11(14)12(10)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide?
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 289.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).