N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide

C13H18Cl2N2O — CID 62847986

IUPACN-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,16-3)12(18)17(4)8-9-5-6-10(14)7-11(9)15/h5-7,16H,8H2,1-4H3
InChIKeyDNKZSMDYZARUKJ-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.95
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide

N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide (PubChem CID 62847986) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
PubChem CID62847986
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,16-3)12(18)17(4)8-9-5-6-10(14)7-11(9)15/h5-7,16H,8H2,1-4H3
InChIKeyDNKZSMDYZARUKJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 167972061
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide (CID 62847986) is N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide?
The InChIKey is DNKZSMDYZARUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(2,16-3)12(18)17(4)8-9-5-6-10(14)7-11(9)15/h5-7,16H,8H2,1-4H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide?
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide has a molecular weight of 289.21 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide is sourced from PubChem (CID 62847986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).