N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide

C15H19Cl2N3O — CID 78826410

IUPACN-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c1-11(15(21)19(2)8-4-7-18)20(3)10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,8,10H2,1-3H3
InChIKeyUTSYQCIWKSSCNK-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.19
Rot. Bonds6

About N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide

N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 78826410) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID78826410
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c1-11(15(21)19(2)8-4-7-18)20(3)10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,8,10H2,1-3H3
InChIKeyUTSYQCIWKSSCNK-UHFFFAOYSA-N
XLogP3.19
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86911542
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate
CID 8575596
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-chloro-5-[methoxy(methyl)sulfamoyl]benzoate
CID 9383346
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide (CID 78826410) is N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide is CC(C(=O)N(C)CCC#N)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is UTSYQCIWKSSCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-11(15(21)19(2)8-4-7-18)20(3)10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,8,10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide?
N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 328.24 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 78826410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).