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

C13H18Cl2N2O — CID 120831265

IUPAC3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)12(15)7-10/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyBVSKAYXIFQWYGE-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.65
Rot. Bonds6

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

3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120831265) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
PubChem CID120831265
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)12(15)7-10/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyBVSKAYXIFQWYGE-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide (CID 120831265) is 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is BVSKAYXIFQWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(16-2)8-17-13(18)6-4-10-3-5-11(14)12(15)7-10/h3,5,7,9,16H,4,6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 289.21 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).