2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide

C15H20Cl2N2O2 — CID 49379512

IUPAC2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-15(2,10-5-6-11(16)12(17)9-10)14(21)18-8-7-13(20)19(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)
InChIKeyNZOXMFNZHBYKGR-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.87
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide

2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide (PubChem CID 49379512) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
PubChem CID49379512
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-15(2,10-5-6-11(16)12(17)9-10)14(21)18-8-7-13(20)19(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)
InChIKeyNZOXMFNZHBYKGR-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide (CID 49379512) is 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide is CN(C)C(=O)CCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is NZOXMFNZHBYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-15(2,10-5-6-11(16)12(17)9-10)14(21)18-8-7-13(20)19(3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide?
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 331.24 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 49379512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).