(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C17H16FN3O2 — CID 72950353

IUPAC(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnnc(C2CC2)c1
InChIInChI=1S/C17H16FN3O2/c18-17(16(22)21-23)14(11-4-2-1-3-5-11)15(17)12-8-13(10-6-7-10)20-19-9-12/h1-5,8-10,14-15,23H,6-7H2,(H,21,22)/t14-,15-,17+/m1/s1
InChIKeyRASDWBAXXBCQKG-INMHGKMJSA-N
MW313.33 g/mol
LogP2.45
Rot. Bonds4

About (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 72950353) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID72950353
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnnc(C2CC2)c1
InChIInChI=1S/C17H16FN3O2/c18-17(16(22)21-23)14(11-4-2-1-3-5-11)15(17)12-8-13(10-6-7-10)20-19-9-12/h1-5,8-10,14-15,23H,6-7H2,(H,21,22)/t14-,15-,17+/m1/s1
InChIKeyRASDWBAXXBCQKG-INMHGKMJSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 72950353) is (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1cnnc(C2CC2)c1.
What is the InChIKey of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is RASDWBAXXBCQKG-INMHGKMJSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-17(16(22)21-23)14(11-4-2-1-3-5-11)15(17)12-8-13(10-6-7-10)20-19-9-12/h1-5,8-10,14-15,23H,6-7H2,(H,21,22)/t14-,15-,17+/m1/s1.
What are the key properties of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72950353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).