2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C20H21F2N3O4 — CID 55412776

IUPAC2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc3c(c2)OC(F)(F)O3)c(C)c1
InChIInChI=1S/C20H21F2N3O4/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-15-16(8-14)29-20(21,22)28-15/h4-8,23H,9-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFAWPTJKCENVPNC-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.10
Rot. Bonds6

About 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 55412776) has the molecular formula C20H21F2N3O4 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID55412776
Molecular FormulaC20H21F2N3O4
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CNc2ccc3c(c2)OC(F)(F)O3)c(C)c1
InChIInChI=1S/C20H21F2N3O4/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-15-16(8-14)29-20(21,22)28-15/h4-8,23H,9-10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFAWPTJKCENVPNC-UHFFFAOYSA-N
XLogP3.10
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]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

2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
N-(5-chloro-2-methylphenyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 18096937
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(3-methoxypropyl)acetamide
CID 60673317
2-fluoro-5-[[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]amino]benzamide
CID 55897825
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 28577635
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362409
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 24511409
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
CID 26954210
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 55412776) is 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CNc2ccc3c(c2)OC(F)(F)O3)c(C)c1.
What is the InChIKey of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is FAWPTJKCENVPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4/c1-11-6-12(2)19(13(3)7-11)25-18(27)10-24-17(26)9-23-14-4-5-15-16(8-14)29-20(21,22)28-15/h4-8,23H,9-10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 405.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 55412776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).