(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide

C23H38F2N2O4 — CID 71244460

IUPAC(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide
SMILESO=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCO)/C(F)=C/CCCCCCCO
InChIInChI=1S/C23H38F2N2O4/c24-18(13-9-5-1-3-7-11-15-28)22(30)26-20-17-21(20)27-23(31)19(25)14-10-6-2-4-8-12-16-29/h13-14,20-21,28-29H,1-12,15-17H2,(H,26,30)(H,27,31)/b18-13-,19-14-/t20-,21+
InChIKeyKUGMGHRKUZTIAZ-UIAJOKKCSA-N
MW444.56 g/mol
LogP3.73
Rot. Bonds18

About (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide

(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide (PubChem CID 71244460) has the molecular formula C23H38F2N2O4 and a molecular weight of 444.56 g/mol. Its IUPAC name is (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide
PubChem CID71244460
Molecular FormulaC23H38F2N2O4
Molecular Weight444.56 g/mol
Exact Mass444.28
IUPAC Name(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide
SMILESO=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCO)/C(F)=C/CCCCCCCO
InChIInChI=1S/C23H38F2N2O4/c24-18(13-9-5-1-3-7-11-15-28)22(30)26-20-17-21(20)27-23(31)19(25)14-10-6-2-4-8-12-16-29/h13-14,20-21,28-29H,1-12,15-17H2,(H,26,30)(H,27,31)/b18-13-,19-14-/t20-,21+
InChIKeyKUGMGHRKUZTIAZ-UIAJOKKCSA-N
XLogP3.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.73
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'}

Analyze (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide (CID 71244460) is (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide is O=C(N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCO)/C(F)=C/CCCCCCCO.
What is the InChIKey of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide?
The InChIKey is KUGMGHRKUZTIAZ-UIAJOKKCSA-N. The full InChI is InChI=1S/C23H38F2N2O4/c24-18(13-9-5-1-3-7-11-15-28)22(30)26-20-17-21(20)27-23(31)19(25)14-10-6-2-4-8-12-16-29/h13-14,20-21,28-29H,1-12,15-17H2,(H,26,30)(H,27,31)/b18-13-,19-14-/t20-,21+.
What are the key properties of (Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide?
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluoro-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide has a molecular weight of 444.56 g/mol, XLogP of 3.73, 18 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-10-hydroxydec-2-enoyl]amino]cyclopropyl]-10-hydroxydec-2-enamide is sourced from PubChem (CID 71244460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).