2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C19H21F2N3O2 — CID 8563869

IUPAC2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1
InChIInChI=1S/C19H21F2N3O2/c1-2-24(12-14-6-4-3-5-7-14)13-19(26)22-11-18(25)23-15-8-9-16(20)17(21)10-15/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyFVWYORWHCTZNDG-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.54
Rot. Bonds8

About 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 8563869) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID8563869
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1
InChIInChI=1S/C19H21F2N3O2/c1-2-24(12-14-6-4-3-5-7-14)13-19(26)22-11-18(25)23-15-8-9-16(20)17(21)10-15/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyFVWYORWHCTZNDG-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
2-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 32514074
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
CID 30857477
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 8563869) is 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is FVWYORWHCTZNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-2-24(12-14-6-4-3-5-7-14)13-19(26)22-11-18(25)23-15-8-9-16(20)17(21)10-15/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 361.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 8563869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).