N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide

C17H18Cl2N2O — CID 52683480

IUPACN-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-21(11-14-7-15(18)9-16(19)8-14)12-17(22)20-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyBIRGIHDEVPPMPS-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.74
Rot. Bonds6

About N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide

N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide (PubChem CID 52683480) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
PubChem CID52683480
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-21(11-14-7-15(18)9-16(19)8-14)12-17(22)20-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyBIRGIHDEVPPMPS-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 8803452
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide (CID 52683480) is N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide?
The InChIKey is BIRGIHDEVPPMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-21(11-14-7-15(18)9-16(19)8-14)12-17(22)20-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide?
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide has a molecular weight of 337.25 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 52683480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).