(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide

C28H35F2NO — CID 100984282

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C28H35F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(32)31-28-25(29)22-21-23-26(28)30/h3-4,6-7,9-10,12-13,15-16,18-19,21-23H,2,5,8,11,14,17,20,24H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPMVAYXUGSVVZJZ-KUBAVDMBSA-N
MW439.59 g/mol
LogP8.38
Rot. Bonds15

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 100984282) has the molecular formula C28H35F2NO and a molecular weight of 439.59 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID100984282
Molecular FormulaC28H35F2NO
Molecular Weight439.59 g/mol
Exact Mass439.27
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C28H35F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(32)31-28-25(29)22-21-23-26(28)30/h3-4,6-7,9-10,12-13,15-16,18-19,21-23H,2,5,8,11,14,17,20,24H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyPMVAYXUGSVVZJZ-KUBAVDMBSA-N
XLogP8.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]pyridine-3-carboxylic acid
CID 66695427
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
N-(2,6-difluorophenyl)-N',N'-dipropylpropanediamide
CID 108952519
tert-butyl 4-(2,6-difluoroanilino)-4-oxobutanoate
CID 106707000
5-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-methylbenzoic acid
CID 59193256
(4Z,7Z,10Z,13Z,16Z,19Z)-N-benzylsulfonyldocosa-4,7,10,13,16,19-hexaenamide
CID 155558936
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 118539446

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide (CID 100984282) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is PMVAYXUGSVVZJZ-KUBAVDMBSA-N. The full InChI is InChI=1S/C28H35F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(32)31-28-25(29)22-21-23-26(28)30/h3-4,6-7,9-10,12-13,15-16,18-19,21-23H,2,5,8,11,14,17,20,24H2,1H3,(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 439.59 g/mol, XLogP of 8.38, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(2,6-difluorophenyl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 100984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).