2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide

C22H26F2N2O — CID 11632151

IUPAC2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide
SMILESCc1cc(CNc2ccc(F)c(F)c2)cc(C)c1NC(=O)CC1CCCC1
InChIInChI=1S/C22H26F2N2O/c1-14-9-17(13-25-18-7-8-19(23)20(24)12-18)10-15(2)22(14)26-21(27)11-16-5-3-4-6-16/h7-10,12,16,25H,3-6,11,13H2,1-2H3,(H,26,27)
InChIKeyLCYQPINKRYIIOS-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.71
Rot. Bonds6

About 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide

2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide (PubChem CID 11632151) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide
PubChem CID11632151
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide
SMILESCc1cc(CNc2ccc(F)c(F)c2)cc(C)c1NC(=O)CC1CCCC1
InChIInChI=1S/C22H26F2N2O/c1-14-9-17(13-25-18-7-8-19(23)20(24)12-18)10-15(2)22(14)26-21(27)11-16-5-3-4-6-16/h7-10,12,16,25H,3-6,11,13H2,1-2H3,(H,26,27)
InChIKeyLCYQPINKRYIIOS-UHFFFAOYSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide (CID 11632151) is 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide is Cc1cc(CNc2ccc(F)c(F)c2)cc(C)c1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide?
The InChIKey is LCYQPINKRYIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O/c1-14-9-17(13-25-18-7-8-19(23)20(24)12-18)10-15(2)22(14)26-21(27)11-16-5-3-4-6-16/h7-10,12,16,25H,3-6,11,13H2,1-2H3,(H,26,27).
What are the key properties of 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide?
2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide has a molecular weight of 372.46 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 11632151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).