2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide

C20H21F2N3O2 — CID 3491028

IUPAC2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide
SMILESCCCC/N=C(\C(=O)Nc1ccc(F)c(F)c1)c1ccccc1NC(C)=O
InChIInChI=1S/C20H21F2N3O2/c1-3-4-11-23-19(15-7-5-6-8-18(15)24-13(2)26)20(27)25-14-9-10-16(21)17(22)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,24,26)(H,25,27)/b23-19-
InChIKeyAEWOUGQOHXMMGP-NMWGTECJSA-N
MW373.40 g/mol
LogP4.15
Rot. Bonds7

About 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide

2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide (PubChem CID 3491028) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide
PubChem CID3491028
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide
SMILESCCCC/N=C(\C(=O)Nc1ccc(F)c(F)c1)c1ccccc1NC(C)=O
InChIInChI=1S/C20H21F2N3O2/c1-3-4-11-23-19(15-7-5-6-8-18(15)24-13(2)26)20(27)25-14-9-10-16(21)17(22)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,24,26)(H,25,27)/b23-19-
InChIKeyAEWOUGQOHXMMGP-NMWGTECJSA-N
XLogP4.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide (CID 3491028) is 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide is CCCC/N=C(\C(=O)Nc1ccc(F)c(F)c1)c1ccccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide?
The InChIKey is AEWOUGQOHXMMGP-NMWGTECJSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-3-4-11-23-19(15-7-5-6-8-18(15)24-13(2)26)20(27)25-14-9-10-16(21)17(22)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,24,26)(H,25,27)/b23-19-.
What are the key properties of 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide?
2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide has a molecular weight of 373.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-2-butylimino-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 3491028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).