(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide

C34H60F2N2O — CID 89399905

IUPAC(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide
SMILESC=C(N[C@H]1CCC[C@H]1NC(=O)/C(F)=C/CCCCCCCCCCC)/C(F)=C/CCCCCCCCCCC
InChIInChI=1S/C34H60F2N2O/c1-4-6-8-10-12-14-16-18-20-22-25-30(35)29(3)37-32-27-24-28-33(32)38-34(39)31(36)26-23-21-19-17-15-13-11-9-7-5-2/h25-26,32-33,37H,3-24,27-28H2,1-2H3,(H,38,39)/b30-25-,31-26-/t32-,33+/m0/s1
InChIKeyWJZUYSXOVJYUGP-ZZJJGDCXSA-N
MW550.86 g/mol
LogP10.68
Rot. Bonds25

About (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide

(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide (PubChem CID 89399905) has the molecular formula C34H60F2N2O and a molecular weight of 550.86 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide
PubChem CID89399905
Molecular FormulaC34H60F2N2O
Molecular Weight550.86 g/mol
Exact Mass550.47
IUPAC Name(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide
SMILESC=C(N[C@H]1CCC[C@H]1NC(=O)/C(F)=C/CCCCCCCCCCC)/C(F)=C/CCCCCCCCCCC
InChIInChI=1S/C34H60F2N2O/c1-4-6-8-10-12-14-16-18-20-22-25-30(35)29(3)37-32-27-24-28-33(32)38-34(39)31(36)26-23-21-19-17-15-13-11-9-7-5-2/h25-26,32-33,37H,3-24,27-28H2,1-2H3,(H,38,39)/b30-25-,31-26-/t32-,33+/m0/s1
InChIKeyWJZUYSXOVJYUGP-ZZJJGDCXSA-N
XLogP10.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.86
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide (CID 89399905) is (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide is C=C(N[C@H]1CCC[C@H]1NC(=O)/C(F)=C/CCCCCCCCCCC)/C(F)=C/CCCCCCCCCCC.
What is the InChIKey of (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide?
The InChIKey is WJZUYSXOVJYUGP-ZZJJGDCXSA-N. The full InChI is InChI=1S/C34H60F2N2O/c1-4-6-8-10-12-14-16-18-20-22-25-30(35)29(3)37-32-27-24-28-33(32)38-34(39)31(36)26-23-21-19-17-15-13-11-9-7-5-2/h25-26,32-33,37H,3-24,27-28H2,1-2H3,(H,38,39)/b30-25-,31-26-/t32-,33+/m0/s1.
What are the key properties of (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide?
(Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide has a molecular weight of 550.86 g/mol, XLogP of 10.68, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-[(1R,2S)-2-[[(3Z)-3-fluoropentadeca-1,3-dien-2-yl]amino]cyclopentyl]tetradec-2-enamide is sourced from PubChem (CID 89399905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).