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

C19H19ClN2O4 — CID 113062967

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 NameN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113062967
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC NameN-[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
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113132956

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).