2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide

C19H19Cl2N3O — CID 45272341

IUPAC2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O/c1-13(19(25)23(2)3)24(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,12H2,1-3H3
InChIKeyVESPGKBHEWMFHD-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.35
Rot. Bonds5

About 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide

2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide (PubChem CID 45272341) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide
PubChem CID45272341
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O/c1-13(19(25)23(2)3)24(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,12H2,1-3H3
InChIKeyVESPGKBHEWMFHD-UHFFFAOYSA-N
XLogP4.35
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide (CID 45272341) is 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide?
The InChIKey is VESPGKBHEWMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-13(19(25)23(2)3)24(12-15-6-4-5-7-17(15)20)16-9-8-14(11-22)18(21)10-16/h4-10,13H,12H2,1-3H3.
What are the key properties of 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide?
2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide has a molecular weight of 376.29 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 45272341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).