2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide

C15H20F2N2O2 — CID 113181630

IUPAC2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-4-5-8-18-15(21)10-19(11(2)20)12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyNSOAIPMYTFJQJN-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.62
Rot. Bonds7

About 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide

2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide (PubChem CID 113181630) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
PubChem CID113181630
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-3-4-5-8-18-15(21)10-19(11(2)20)12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyNSOAIPMYTFJQJN-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
CID 113181217
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113181594
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide?
The IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide (CID 113181630) is 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide?
The InChIKey is NSOAIPMYTFJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-4-5-8-18-15(21)10-19(11(2)20)12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide?
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide has a molecular weight of 298.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide is sourced from PubChem (CID 113181630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).