(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide

C23H24FN3O2 — CID 51001127

IUPAC(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(NO)/C(F)=C/c1ccc(CN2CCC[C@@H]2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24FN3O2/c24-21(23(28)26-29)12-16-7-9-17(10-8-16)15-27-11-3-4-19(27)13-18-14-25-22-6-2-1-5-20(18)22/h1-2,5-10,12,14,19,25,29H,3-4,11,13,15H2,(H,26,28)/b21-12-/t19-/m1/s1
InChIKeySWTNMKLEWKDDTB-GFIJVFARSA-N
MW393.46 g/mol
LogP4.19
Rot. Bonds6

About (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide

(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (PubChem CID 51001127) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
PubChem CID51001127
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
SMILESO=C(NO)/C(F)=C/c1ccc(CN2CCC[C@@H]2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24FN3O2/c24-21(23(28)26-29)12-16-7-9-17(10-8-16)15-27-11-3-4-19(27)13-18-14-25-22-6-2-1-5-20(18)22/h1-2,5-10,12,14,19,25,29H,3-4,11,13,15H2,(H,26,28)/b21-12-/t19-/m1/s1
InChIKeySWTNMKLEWKDDTB-GFIJVFARSA-N
XLogP4.19
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-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-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide (CID 51001127) is (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is O=C(NO)/C(F)=C/c1ccc(CN2CCC[C@@H]2Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
The InChIKey is SWTNMKLEWKDDTB-GFIJVFARSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-21(23(28)26-29)12-16-7-9-17(10-8-16)15-27-11-3-4-19(27)13-18-14-25-22-6-2-1-5-20(18)22/h1-2,5-10,12,14,19,25,29H,3-4,11,13,15H2,(H,26,28)/b21-12-/t19-/m1/s1.
What are the key properties of (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide?
(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide has a molecular weight of 393.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 51001127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).