3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide

C23H22Cl2N2O — CID 24588780

IUPAC3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O/c1-27(16-15-21(28)26-22-19(24)13-8-14-20(22)25)23(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,23H,15-16H2,1H3,(H,26,28)
InChIKeyLGGCHLZHJSWDFJ-UHFFFAOYSA-N
MW413.35 g/mol
LogP6.04
Rot. Bonds7

About 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 24588780) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID24588780
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O/c1-27(16-15-21(28)26-22-19(24)13-8-14-20(22)25)23(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,23H,15-16H2,1H3,(H,26,28)
InChIKeyLGGCHLZHJSWDFJ-UHFFFAOYSA-N
XLogP6.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509

Frequently Asked Questions

What is the IUPAC name of 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 24588780) is 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide is CN(CCC(=O)Nc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is LGGCHLZHJSWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-27(16-15-21(28)26-22-19(24)13-8-14-20(22)25)23(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,23H,15-16H2,1H3,(H,26,28).
What are the key properties of 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 413.35 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 24588780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).