3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide

C18H19Cl2NO3 — CID 46485734

IUPAC3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-10-7-16(23-3)17(24-4)9-13(10)11(2)21-18(22)12-5-6-14(19)15(20)8-12/h5-9,11H,1-4H3,(H,21,22)
InChIKeyQSPVIUSROSXQHN-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.81
Rot. Bonds5

About 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide

3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide (PubChem CID 46485734) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
PubChem CID46485734
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-10-7-16(23-3)17(24-4)9-13(10)11(2)21-18(22)12-5-6-14(19)15(20)8-12/h5-9,11H,1-4H3,(H,21,22)
InChIKeyQSPVIUSROSXQHN-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-nitrobenzamide
CID 133186114
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 46485556
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide (CID 46485734) is 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide?
The InChIKey is QSPVIUSROSXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-10-7-16(23-3)17(24-4)9-13(10)11(2)21-18(22)12-5-6-14(19)15(20)8-12/h5-9,11H,1-4H3,(H,21,22).
What are the key properties of 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide?
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide has a molecular weight of 368.26 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 46485734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).