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

C18H18FN3O2 — CID 72950354

IUPAC(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](c2cnnc(C3CC3)c2)[C@]1(F)C(=O)NO
InChIInChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23)/t15-,16-,18-/m1/s1
InChIKeySXSFTCOSIXYIRJ-JFIYKMOQSA-N
MW327.36 g/mol
LogP2.76
Rot. Bonds4

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

(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 72950354) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID72950354
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](c2cnnc(C3CC3)c2)[C@]1(F)C(=O)NO
InChIInChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23)/t15-,16-,18-/m1/s1
InChIKeySXSFTCOSIXYIRJ-JFIYKMOQSA-N
XLogP2.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.76
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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Related Compounds

(1R,2R,3R)-N-hydroxy-2-phenyl-3-(4-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 60148716
(1R,2R,3R)-2-(6-cyclopropylpyridazin-4-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148836
2-(2-fluorophenyl)-N-hydroxy-2-(4-pyridazin-4-ylphenyl)acetamide
CID 155513435
2-(2-fluorophenyl)-N-hydroxy-2-(4-pyridazin-3-ylphenyl)acetamide
CID 155519955
(1R,2R,3R)-N-hydroxy-2-phenyl-3-pyridazin-4-ylcyclopropane-1-carboxamide
CID 60148666
(1R,2R,3R)-N-hydroxy-2-phenyl-3-(4-pyridazin-4-ylphenyl)cyclopropane-1-carboxamide
CID 60148717
Diazinylphenylacetamide
CID 69190687
(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 72950353
(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-3-(3-fluoro-2-methylphenyl)-N-hydroxycyclopropane-1-carboxamide
CID 72950355
2-Fluoro-2-phenyl-2-pyridazin-3-ylacetamide
CID 118560621
2-(2-Fluorophenyl)-2-pyridazin-3-ylacetamide
CID 118560624
2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide
CID 123585305

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide (CID 72950354) is (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1[C@@H]1[C@@H](c2cnnc(C3CC3)c2)[C@]1(F)C(=O)NO.
What is the InChIKey of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is SXSFTCOSIXYIRJ-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-10-4-2-3-5-13(10)16-15(18(16,19)17(23)22-24)12-8-14(11-6-7-11)21-20-9-12/h2-5,8-9,11,15-16,24H,6-7H2,1H3,(H,22,23)/t15-,16-,18-/m1/s1.
What are the key properties of (1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide?
(1S,2S,3S)-2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.76, 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-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72950354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).