N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide

C21H24Cl2N2O2 — CID 56553596

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-25(15-17-6-7-19(22)20(23)13-17)21(26)18-5-3-4-16(12-18)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14-15H2,1H3
InChIKeyGWMURFSDOQLGFV-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.49
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 56553596) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
PubChem CID56553596
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-25(15-17-6-7-19(22)20(23)13-17)21(26)18-5-3-4-16(12-18)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14-15H2,1H3
InChIKeyGWMURFSDOQLGFV-UHFFFAOYSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylbenzamide
CID 8752036
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55915255
3-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 122029349
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 60537875
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 25163092

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide (CID 56553596) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is GWMURFSDOQLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-2-25(15-17-6-7-19(22)20(23)13-17)21(26)18-5-3-4-16(12-18)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14-15H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 407.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 56553596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).