(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

C20H16FN3O3 — CID 127027919

IUPAC(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C20H16FN3O3/c21-20(19(26)24-27)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-22-10-15(25)11-23-18/h1-11,16-17,25,27H,(H,24,26)/t16-,17-,20+/m1/s1
InChIKeyRFZBUPCWYNQGPW-HLIPFELVSA-N
MW365.36 g/mol
LogP2.94
Rot. Bonds4

About (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 127027919) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
PubChem CID127027919
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(O)cn2)cc1
InChIInChI=1S/C20H16FN3O3/c21-20(19(26)24-27)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-22-10-15(25)11-23-18/h1-11,16-17,25,27H,(H,24,26)/t16-,17-,20+/m1/s1
InChIKeyRFZBUPCWYNQGPW-HLIPFELVSA-N
XLogP2.94
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide 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 (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (CID 127027919) is (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(O)cn2)cc1.
What is the InChIKey of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The InChIKey is RFZBUPCWYNQGPW-HLIPFELVSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-20(19(26)24-27)16(12-4-2-1-3-5-12)17(20)13-6-8-14(9-7-13)18-22-10-15(25)11-23-18/h1-11,16-17,25,27H,(H,24,26)/t16-,17-,20+/m1/s1.
What are the key properties of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-hydroxypyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 127027919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).