(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide

C25H42F2N2O4 — CID 71244522

IUPAC(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide
SMILESO=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCCO)/C(F)=C/CCCCCCCCO
InChIInChI=1S/C25H42F2N2O4/c26-20(15-11-7-3-1-5-9-13-17-30)24(32)28-22-19-23(22)29-25(33)21(27)16-12-8-4-2-6-10-14-18-31/h15-16,22-23,30-31H,1-14,17-19H2,(H,28,32)(H,29,33)/b20-15-,21-16-/t22-,23+
InChIKeyAZZPJTRSYDAIGA-AJCHPTQQSA-N
MW472.62 g/mol
LogP4.51
Rot. Bonds20

About (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide

(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide (PubChem CID 71244522) has the molecular formula C25H42F2N2O4 and a molecular weight of 472.62 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide
PubChem CID71244522
Molecular FormulaC25H42F2N2O4
Molecular Weight472.62 g/mol
Exact Mass472.31
IUPAC Name(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide
SMILESO=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCCO)/C(F)=C/CCCCCCCCO
InChIInChI=1S/C25H42F2N2O4/c26-20(15-11-7-3-1-5-9-13-17-30)24(32)28-22-19-23(22)29-25(33)21(27)16-12-8-4-2-6-10-14-18-31/h15-16,22-23,30-31H,1-14,17-19H2,(H,28,32)(H,29,33)/b20-15-,21-16-/t22-,23+
InChIKeyAZZPJTRSYDAIGA-AJCHPTQQSA-N
XLogP4.51
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
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 (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide (CID 71244522) is (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide is O=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCCO)/C(F)=C/CCCCCCCCO.
What is the InChIKey of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide?
The InChIKey is AZZPJTRSYDAIGA-AJCHPTQQSA-N. The full InChI is InChI=1S/C25H42F2N2O4/c26-20(15-11-7-3-1-5-9-13-17-30)24(32)28-22-19-23(22)29-25(33)21(27)16-12-8-4-2-6-10-14-18-31/h15-16,22-23,30-31H,1-14,17-19H2,(H,28,32)(H,29,33)/b20-15-,21-16-/t22-,23+.
What are the key properties of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide?
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide has a molecular weight of 472.62 g/mol, XLogP of 4.51, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-11-hydroxyundec-2-enoyl]amino]cyclopropyl]-11-hydroxyundec-2-enamide is sourced from PubChem (CID 71244522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).