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

C21H18FN3O2 — CID 72950863

IUPAC(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)nc1
InChIInChI=1S/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1
InChIKeyLERFWXLGVNOQCJ-OPYAIIAOSA-N
MW363.39 g/mol
LogP3.55
Rot. Bonds4

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

(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 72950863) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
PubChem CID72950863
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)nc1
InChIInChI=1S/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1
InChIKeyLERFWXLGVNOQCJ-OPYAIIAOSA-N
XLogP3.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.55
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

(1s,2s,3s)-1-Fluoranyl-2-[4-(5-Fluoranylpyrimidin-2-Yl)phenyl]-N-Oxidanyl-3-Phenyl-Cyclopropane-1-Carboxamide
CID 72722126
(1r,2r,3r)-2-[4-(5-Fluoranylpyrimidin-2-Yl)phenyl]-N-Oxidanyl-3-Phenyl-Cyclopropane-1-Carboxamide
CID 60148711
(1S,2S,3S)-1-fluoro-N-hydroxy-2-phenyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]cyclopropane-1-carboxamide
CID 72948224
(1S,2S,3S)-2-[4-[5-(difluoromethoxy)pyrimidin-2-yl]phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 72948227
2-(2-fluorophenyl)-N-hydroxy-2-[4-(2-methylpyrimidin-5-yl)phenyl]acetamide
CID 86302836
2-(4-isobutylphenyl)-N-(2-pyrimidinyl)propanamide
CID 4462928
(1R,2R,3R)-2-[3-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148712
(1R,2R,3R)-N-hydroxy-2-phenyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]phenyl]cyclopropane-1-carboxamide
CID 60148714
(1R,2R,3R)-N-hydroxy-2-phenyl-3-(4-pyrimidin-2-ylphenyl)cyclopropane-1-carboxamide
CID 60148735
(1R,2R,3R)-N-hydroxy-2-phenyl-3-(4-pyrimidin-5-ylphenyl)cyclopropane-1-carboxamide
CID 60148736
(1R,2R,3R)-2-[4-(5-chloropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 60148737
(1R,2R,3R)-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 60148738

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (CID 72950863) is (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is Cc1cnc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)nc1.
What is the InChIKey of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The InChIKey is LERFWXLGVNOQCJ-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-11-23-19(24-12-13)16-9-7-15(8-10-16)18-17(14-5-3-2-4-6-14)21(18,22)20(26)25-27/h2-12,17-18,27H,1H3,(H,25,26)/t17-,18-,21+/m1/s1.
What are the key properties of (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
(1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-1-fluoro-N-hydroxy-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72950863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).