2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide

C20H22F2N2O2 — CID 113178994

IUPAC2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2/c1-14(2)23(12-16-7-5-4-6-8-16)20(26)13-24(15(3)25)19-10-9-17(21)11-18(19)22/h4-11,14H,12-13H2,1-3H3
InChIKeyPTZGIFZJNYPLSB-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.75
Rot. Bonds6

About 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide

2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide (PubChem CID 113178994) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
PubChem CID113178994
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2/c1-14(2)23(12-16-7-5-4-6-8-16)20(26)13-24(15(3)25)19-10-9-17(21)11-18(19)22/h4-11,14H,12-13H2,1-3H3
InChIKeyPTZGIFZJNYPLSB-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162207
2-(N-acetyl-2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179021
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113178449
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide (CID 113178994) is 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)C(C)C)c1ccc(F)cc1F.
What is the InChIKey of 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is PTZGIFZJNYPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-14(2)23(12-16-7-5-4-6-8-16)20(26)13-24(15(3)25)19-10-9-17(21)11-18(19)22/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide?
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 360.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 113178994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).