2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C18H17FN2O2 — CID 118237243

IUPAC2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(F)C(c2ccccc2)C1c1ccnc(C2CC2)c1
InChIInChI=1S/C18H17FN2O2/c19-18(17(22)21-23)15(12-4-2-1-3-5-12)16(18)13-8-9-20-14(10-13)11-6-7-11/h1-5,8-11,15-16,23H,6-7H2,(H,21,22)
InChIKeySXPWNRUUCBNTEG-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide

2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 118237243) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID118237243
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(F)C(c2ccccc2)C1c1ccnc(C2CC2)c1
InChIInChI=1S/C18H17FN2O2/c19-18(17(22)21-23)15(12-4-2-1-3-5-12)16(18)13-8-9-20-14(10-13)11-6-7-11/h1-5,8-11,15-16,23H,6-7H2,(H,21,22)
InChIKeySXPWNRUUCBNTEG-UHFFFAOYSA-N
XLogP3.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(6-cyclopropylpyridazin-4-yl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 123876431
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 142718712
(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-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 118245774
(1R,2R,3R)-1-fluoro-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 90071089
ethyl (1S,2R,3R)-2-(3-chlorophenyl)-3-(2-cyclopropyl-4-pyridinyl)cyclopropane-1-carboxylate
CID 86721170
(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
2-(4-pyridin-2-ylcyclohexylidene)acetic acid
CID 82285129
N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 140765291
(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
2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide
CID 166099658

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 118237243) is 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)C1(F)C(c2ccccc2)C1c1ccnc(C2CC2)c1.
What is the InChIKey of 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is SXPWNRUUCBNTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-18(17(22)21-23)15(12-4-2-1-3-5-12)16(18)13-8-9-20-14(10-13)11-6-7-11/h1-5,8-11,15-16,23H,6-7H2,(H,21,22).
What are the key properties of 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-pyridinyl)-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118237243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).