3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

C19H22Cl2N2O — CID 46578246

IUPAC3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-23(2)13-16-6-4-3-5-15(16)12-22-19(24)10-8-14-7-9-17(20)11-18(14)21/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyBHWCDAMDKCGNAU-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.30
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 46578246) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID46578246
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O/c1-23(2)13-16-6-4-3-5-15(16)12-22-19(24)10-8-14-7-9-17(20)11-18(14)21/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,22,24)
InChIKeyBHWCDAMDKCGNAU-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 46578246) is 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide is CN(C)Cc1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is BHWCDAMDKCGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-23(2)13-16-6-4-3-5-15(16)12-22-19(24)10-8-14-7-9-17(20)11-18(14)21/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 365.30 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46578246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).