3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide

C17H17Cl2NO3 — CID 4557659

IUPAC3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC
InChIInChI=1S/C17H17Cl2NO3/c1-4-23-15-9-11(8-13(19)16(15)22-3)17(21)20-14-7-5-6-12(18)10(14)2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyHFYSGYTUZHFZEB-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.96
Rot. Bonds5

About 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide

3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide (PubChem CID 4557659) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
PubChem CID4557659
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC
InChIInChI=1S/C17H17Cl2NO3/c1-4-23-15-9-11(8-13(19)16(15)22-3)17(21)20-14-7-5-6-12(18)10(14)2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyHFYSGYTUZHFZEB-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
1-(3-chloro-2-methylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 4084114
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681361
N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide (CID 4557659) is 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide?
The InChIKey is HFYSGYTUZHFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-4-23-15-9-11(8-13(19)16(15)22-3)17(21)20-14-7-5-6-12(18)10(14)2/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide?
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide has a molecular weight of 354.23 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 4557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).