3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide

C17H18ClNO3 — CID 3944702

IUPAC3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-22-16-13(18)9-12(10-15(16)21-3)17(20)19-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyJYHQGQJHCCDEIO-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.31
Rot. Bonds5

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

3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 3944702) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
PubChem CID3944702
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-22-16-13(18)9-12(10-15(16)21-3)17(20)19-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyJYHQGQJHCCDEIO-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide (CID 3944702) is 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide is CCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is JYHQGQJHCCDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-4-22-16-13(18)9-12(10-15(16)21-3)17(20)19-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 319.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 3944702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).