3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide

C15H15ClN2O3 — CID 25343284

IUPAC3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1OC
InChIInChI=1S/C15H15ClN2O3/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXITXOSZTLUBXKT-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide

3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide (PubChem CID 25343284) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
PubChem CID25343284
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1OC
InChIInChI=1S/C15H15ClN2O3/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyXITXOSZTLUBXKT-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
N-[3-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610614
3-chloro-4-ethoxy-5-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034999
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide (CID 25343284) is 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide is CCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide?
The InChIKey is XITXOSZTLUBXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-21-14-12(16)7-10(8-13(14)20-2)15(19)18-11-5-4-6-17-9-11/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide?
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 25343284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).