N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide

C18H20Cl2N2O — CID 118607364

IUPACN-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)15-8-9-16(19)17(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)
InChIKeyBJMSSYYAXURYLB-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide

N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide (PubChem CID 118607364) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide
PubChem CID118607364
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)15-8-9-16(19)17(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)
InChIKeyBJMSSYYAXURYLB-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Saredutant
CID 104974
U-47700
CID 71719125
Dnk 333
CID 9939040
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
Jnj-63533054
CID 2548547
N-benzyl-4-chlorobenzamide
CID 346668
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-(3-Chlorobenzoyl)piperazine
CID 1074765
4-Chloro-N-phenethylbenzamide
CID 306479
PF-184298
CID 11392888

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide (CID 118607364) is N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide is CN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide?
The InChIKey is BJMSSYYAXURYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)15-8-9-16(19)17(20)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide?
N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide has a molecular weight of 351.28 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 118607364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).