4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide

C20H22F2N4O3 — CID 112769376

IUPAC4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22F2N4O3/c1-3-26(11-17(27)25-18-15(21)5-4-6-16(18)22)12(2)20(29)24-14-9-7-13(8-10-14)19(23)28/h4-10,12H,3,11H2,1-2H3,(H2,23,28)(H,24,29)(H,25,27)
InChIKeyQQFVRBNBSOQVHT-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.35
Rot. Bonds8

About 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide

4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide (PubChem CID 112769376) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
PubChem CID112769376
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H22F2N4O3/c1-3-26(11-17(27)25-18-15(21)5-4-6-16(18)22)12(2)20(29)24-14-9-7-13(8-10-14)19(23)28/h4-10,12H,3,11H2,1-2H3,(H2,23,28)(H,24,29)(H,25,27)
InChIKeyQQFVRBNBSOQVHT-UHFFFAOYSA-N
XLogP2.35
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide 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-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-N,2-diphenylacetamide
CID 112804241
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
CID 103101365
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
N-(2-chlorophenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]propanamide
CID 112804401
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide (CID 112769376) is 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
The InChIKey is QQFVRBNBSOQVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-3-26(11-17(27)25-18-15(21)5-4-6-16(18)22)12(2)20(29)24-14-9-7-13(8-10-14)19(23)28/h4-10,12H,3,11H2,1-2H3,(H2,23,28)(H,24,29)(H,25,27).
What are the key properties of 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide?
4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide has a molecular weight of 404.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide is sourced from PubChem (CID 112769376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).