(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide

C25H42F2N2O4 — CID 71244474

IUPAC(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide
SMILESO=C(N[C@@H]1CC[C@H](NC(=O)/C(F)=C\CCCCCCCO)C1)/C(F)=C\CCCCCCCO
InChIInChI=1S/C25H42F2N2O4/c26-22(13-9-5-1-3-7-11-17-30)24(32)28-20-15-16-21(19-20)29-25(33)23(27)14-10-6-2-4-8-12-18-31/h13-14,20-21,30-31H,1-12,15-19H2,(H,28,32)(H,29,33)/b22-13+,23-14+/t20-,21+
InChIKeySOBJSDUPTDQIAN-XGZJFCHESA-N
MW472.62 g/mol
LogP4.51
Rot. Bonds18

About (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide

(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide (PubChem CID 71244474) has the molecular formula C25H42F2N2O4 and a molecular weight of 472.62 g/mol. Its IUPAC name is (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide
PubChem CID71244474
Molecular FormulaC25H42F2N2O4
Molecular Weight472.62 g/mol
Exact Mass472.31
IUPAC Name(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide
SMILESO=C(N[C@@H]1CC[C@H](NC(=O)/C(F)=C\CCCCCCCO)C1)/C(F)=C\CCCCCCCO
InChIInChI=1S/C25H42F2N2O4/c26-22(13-9-5-1-3-7-11-17-30)24(32)28-20-15-16-21(19-20)29-25(33)23(27)14-10-6-2-4-8-12-18-31/h13-14,20-21,30-31H,1-12,15-19H2,(H,28,32)(H,29,33)/b22-13+,23-14+/t20-,21+
InChIKeySOBJSDUPTDQIAN-XGZJFCHESA-N
XLogP4.51
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide?
The IUPAC name of (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide (CID 71244474) is (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide is O=C(N[C@@H]1CC[C@H](NC(=O)/C(F)=C\CCCCCCCO)C1)/C(F)=C\CCCCCCCO.
What is the InChIKey of (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide?
The InChIKey is SOBJSDUPTDQIAN-XGZJFCHESA-N. The full InChI is InChI=1S/C25H42F2N2O4/c26-22(13-9-5-1-3-7-11-17-30)24(32)28-20-15-16-21(19-20)29-25(33)23(27)14-10-6-2-4-8-12-18-31/h13-14,20-21,30-31H,1-12,15-19H2,(H,28,32)(H,29,33)/b22-13+,23-14+/t20-,21+.
What are the key properties of (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide?
(E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide has a molecular weight of 472.62 g/mol, XLogP of 4.51, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-[(1R,3S)-3-[[(E)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopentyl]-10-hydroxydec-2-enamide is sourced from PubChem (CID 71244474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).