3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C15H19ClN2O4 — CID 94799711

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)N[C@H]2CCCNC2=O)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-3-22-13-10(16)7-9(8-12(13)21-2)14(19)18-11-5-4-6-17-15(11)20/h7-8,11H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyASJPWFHINASDTJ-NSHDSACASA-N
MW326.78 g/mol
LogP1.76
Rot. Bonds5

About 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide

3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 94799711) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID94799711
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCCOc1c(Cl)cc(C(=O)N[C@H]2CCCNC2=O)cc1OC
InChIInChI=1S/C15H19ClN2O4/c1-3-22-13-10(16)7-9(8-12(13)21-2)14(19)18-11-5-4-6-17-15(11)20/h7-8,11H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyASJPWFHINASDTJ-NSHDSACASA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62181828
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 120577293
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 94799711) is 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide is CCOc1c(Cl)cc(C(=O)N[C@H]2CCCNC2=O)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is ASJPWFHINASDTJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-22-13-10(16)7-9(8-12(13)21-2)14(19)18-11-5-4-6-17-15(11)20/h7-8,11H,3-6H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 326.78 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 94799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).