3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide

C17H16Cl2N2O3 — CID 9246284

IUPAC3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-15-5-3-2-4-12(15)9-20-16(22)10-21-17(23)11-6-7-13(18)14(19)8-11/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZGHCNHWEQQUSGV-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.05
Rot. Bonds6

About 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 9246284) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID9246284
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-24-15-5-3-2-4-12(15)9-20-16(22)10-21-17(23)11-6-7-13(18)14(19)8-11/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZGHCNHWEQQUSGV-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29310712
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (CID 9246284) is 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is COc1ccccc1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZGHCNHWEQQUSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-24-15-5-3-2-4-12(15)9-20-16(22)10-21-17(23)11-6-7-13(18)14(19)8-11/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 367.23 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9246284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).