2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide

C19H20F2N2O2 — CID 113169742

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C(C)C
InChIInChI=1S/C19H20F2N2O2/c1-12(2)15-6-4-5-7-18(15)23(13(3)24)11-19(25)22-14-8-9-16(20)17(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyZMUUNDZAWOMOHG-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.08
Rot. Bonds5

About 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113169742) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID113169742
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C(C)C
InChIInChI=1S/C19H20F2N2O2/c1-12(2)15-6-4-5-7-18(15)23(13(3)24)11-19(25)22-14-8-9-16(20)17(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,25)
InChIKeyZMUUNDZAWOMOHG-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
2-(N-acetyl-2-fluoroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 113170882
2-(N-acetyl-2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179021
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide (CID 113169742) is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is ZMUUNDZAWOMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(2)15-6-4-5-7-18(15)23(13(3)24)11-19(25)22-14-8-9-16(20)17(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113169742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).