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

C17H16FN3O2 — CID 123876431

IUPAC2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(F)C(c2ccccc2)C1c1cnnc(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)
InChIKeyRASDWBAXXBCQKG-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.45
Rot. Bonds4

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

2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 123876431) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID123876431
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(F)C(c2ccccc2)C1c1cnnc(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)
InChIKeyRASDWBAXXBCQKG-UHFFFAOYSA-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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Related Compounds

2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 118237243
(1R,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 158279058
(1R,2R,3R)-1-fluoro-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 90071089
(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 118245774
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 142718712
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
(1S,2S,3S)-2-[4-(5-chloropyrimidin-2-yl)phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-2-[4-[5-(difluoromethyl)pyrimidin-2-yl]phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide;(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 161258165
(1R,2S,3S)-2-[(3Z)-4-cyclopropyl-4-(ethylideneamino)buta-1,3-dien-2-yl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 126581172
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
trans-(1R,2S)-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-1-methyl-3-phenylcyclopropane-1-carboxamide
CID 90209345
cis-(1S,3S)-3-(5-fluoro-3-pyridinyl)-N-hydroxy-1-phenylcyclopentane-1-carboxamide;sulfane
CID 158584645
ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
CID 145083417

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 123876431) is 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)C1(F)C(c2ccccc2)C1c1cnnc(C2CC2)c1.
What is the InChIKey of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is RASDWBAXXBCQKG-UHFFFAOYSA-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).
What are the key properties of 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
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 2-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 123876431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).