3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C23H26ClN3O4 — CID 17483579

IUPAC3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H26ClN3O4/c1-2-31-20-8-6-16(7-9-20)23(30)27-12-10-19(11-13-27)26-21(28)15-25-22(29)17-4-3-5-18(24)14-17/h3-9,14,19H,2,10-13,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyFNKLETUORRJGJR-UHFFFAOYSA-N
MW443.93 g/mol
LogP2.89
Rot. Bonds7

About 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 17483579) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID17483579
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H26ClN3O4/c1-2-31-20-8-6-16(7-9-20)23(30)27-12-10-19(11-13-27)26-21(28)15-25-22(29)17-4-3-5-18(24)14-17/h3-9,14,19H,2,10-13,15H2,1H3,(H,25,29)(H,26,28)
InChIKeyFNKLETUORRJGJR-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 17483579) is 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is FNKLETUORRJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-2-31-20-8-6-16(7-9-20)23(30)27-12-10-19(11-13-27)26-21(28)15-25-22(29)17-4-3-5-18(24)14-17/h3-9,14,19H,2,10-13,15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 443.93 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17483579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).