(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide

C27H36F3NO — CID 130441271

IUPAC(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H36F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(32)31-25-22-20-24(21-23-25)27(28,29)30/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-
InChIKeyNKHZNKSCDFNWTI-DOFZRALJSA-N
MW447.59 g/mol
LogP8.79
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide (PubChem CID 130441271) has the molecular formula C27H36F3NO and a molecular weight of 447.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
PubChem CID130441271
Molecular FormulaC27H36F3NO
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H36F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(32)31-25-22-20-24(21-23-25)27(28,29)30/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-
InChIKeyNKHZNKSCDFNWTI-DOFZRALJSA-N
XLogP8.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
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CID 10196571
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-(4-tert-butylphenyl)dodecanamide
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N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
2-oxo-2-[[4-(tridecanoylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 10152904
methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide (CID 130441271) is (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is NKHZNKSCDFNWTI-DOFZRALJSA-N. The full InChI is InChI=1S/C27H36F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(32)31-25-22-20-24(21-23-25)27(28,29)30/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 447.59 g/mol, XLogP of 8.79, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 130441271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).