2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

C13H18Cl2N2O — CID 81485987

IUPAC2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(7-16-2)8-17-13(18)6-10-3-4-11(14)12(15)5-10/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyOPGJRWBUHTUMRW-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.51
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (PubChem CID 81485987) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
PubChem CID81485987
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
SMILESCNCC(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(7-16-2)8-17-13(18)6-10-3-4-11(14)12(15)5-10/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyOPGJRWBUHTUMRW-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
methyl 2-chloro-3-[[2-(3,4-dichlorophenyl)acetyl]amino]propanoate
CID 103492991
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916186
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
3-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butan-2-one;ethane
CID 143607048

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide (CID 81485987) is 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is CNCC(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
The InChIKey is OPGJRWBUHTUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(7-16-2)8-17-13(18)6-10-3-4-11(14)12(15)5-10/h3-5,9,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide has a molecular weight of 289.21 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide is sourced from PubChem (CID 81485987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).