2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C19H21ClFN3O3 — CID 2118538

IUPAC2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-7-15(27-2)8-6-14)12-19(26)23-17-9-4-13(20)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQSYBFZFSPYJITO-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.39
Rot. Bonds8

About 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 2118538) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID2118538
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-7-15(27-2)8-6-14)12-19(26)23-17-9-4-13(20)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQSYBFZFSPYJITO-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 2118538) is 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is QSYBFZFSPYJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-7-15(27-2)8-6-14)12-19(26)23-17-9-4-13(20)10-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 393.85 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2118538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).