N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide

Name: N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₉ClN₂O₄ — CID 113062967

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide

SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2

InChIInChI=1S/C19H19ClN2O4/c1-13(23)22(16-6-7-17-18(11-16)26-12-25-17)9-8-21-19(24)10-14-2-4-15(20)5-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24)

InChIKeyPQXTUWYEULFMJH-UHFFFAOYSA-N

MW374.82 g/mol

LogP2.78

Rot. Bonds6

About N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113062967) has the molecular formula C₁₉H₁₉ClN₂O₄ and a molecular weight of 374.82 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name	N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID	113062967
Molecular Formula	C₁₉H₁₉ClN₂O₄
Molecular Weight	374.82 g/mol
Exact Mass	374.10
IUPAC Name	N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
SMILES	CC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChI	InChI=1S/C19H19ClN2O4/c1-13(23)22(16-6-7-17-18(11-16)26-12-25-17)9-8-21-19(24)10-14-2-4-15(20)5-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24)
InChIKey	PQXTUWYEULFMJH-UHFFFAOYSA-N
XLogP	2.78
TPSA	67.87 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.82
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide?

The IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide (CID 113062967) is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide.

What is the SMILES notation for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide?

The canonical SMILES for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide?

The InChIKey is PQXTUWYEULFMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-13(23)22(16-6-7-17-18(11-16)26-12-25-17)9-8-21-19(24)10-14-2-4-15(20)5-3-14/h2-7,11H,8-10,12H2,1H3,(H,21,24).

What are the key properties of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide?

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 374.82 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113062967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113062967 — identifiers, structure, computed properties (public domain)

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