N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide

C17H17Cl2NO4 — CID 55329564

IUPACN-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-22-14-7-6-12(15(23-2)16(14)24-3)17(21)20-9-10-4-5-11(18)8-13(10)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyDTXAWPDNCSQNCN-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.95
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide

N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide (PubChem CID 55329564) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
PubChem CID55329564
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C17H17Cl2NO4/c1-22-14-7-6-12(15(23-2)16(14)24-3)17(21)20-9-10-4-5-11(18)8-13(10)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyDTXAWPDNCSQNCN-UHFFFAOYSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19337333
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide (CID 55329564) is N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(OC)c1OC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
The InChIKey is DTXAWPDNCSQNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c1-22-14-7-6-12(15(23-2)16(14)24-3)17(21)20-9-10-4-5-11(18)8-13(10)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide?
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide has a molecular weight of 370.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 55329564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).