3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide

C16H15Cl2NO2 — CID 886779

IUPAC3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-3-21-15-8-7-11(9-13(15)18)16(20)19-14-6-4-5-12(17)10(14)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyJEFBHNYSDHMKKV-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.95
Rot. Bonds4

About 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide

3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide (PubChem CID 886779) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
PubChem CID886779
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-3-21-15-8-7-11(9-13(15)18)16(20)19-14-6-4-5-12(17)10(14)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyJEFBHNYSDHMKKV-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
CID 86938507
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
CID 4694654
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1364042
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide (CID 886779) is 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide?
The InChIKey is JEFBHNYSDHMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-3-21-15-8-7-11(9-13(15)18)16(20)19-14-6-4-5-12(17)10(14)2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide?
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 886779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).