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

C21H18FN3O2 — CID 118245774

IUPAC(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccnc(-c2ccc([C@H]3[C@H](c4ccccc4)[C@]3(F)C(=O)NO)cc2)n1
InChIInChI=1S/C21H18FN3O2/c1-13-11-12-23-19(24-13)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+/m0/s1
InChIKeyLGHQEQHFRHTCNM-BBTUJRGHSA-N
MW363.39 g/mol
LogP3.55
Rot. Bonds4

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

(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 118245774) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
PubChem CID118245774
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccnc(-c2ccc([C@H]3[C@H](c4ccccc4)[C@]3(F)C(=O)NO)cc2)n1
InChIInChI=1S/C21H18FN3O2/c1-13-11-12-23-19(24-13)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+/m0/s1
InChIKeyLGHQEQHFRHTCNM-BBTUJRGHSA-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

(1R,2R,3R)-1-fluoro-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 90071089
(1R,2S,3S)-N-hydroxy-1-methyl-2-[4-(5-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
CID 127028836
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466
trans-(1R,2S)-2-[4-(5-fluoropyrimidin-2-yl)phenyl]-N-hydroxy-1-methyl-3-phenylcyclopropane-1-carboxamide
CID 90209345
(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
1-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
CID 21025827
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111412039
2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine
CID 54033608
5-(4-methylpyrimidin-2-yl)pyrimidine-2-carboxylic acid
CID 165452634
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (CID 118245774) is (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is Cc1ccnc(-c2ccc([C@H]3[C@H](c4ccccc4)[C@]3(F)C(=O)NO)cc2)n1.
What is the InChIKey of (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The InChIKey is LGHQEQHFRHTCNM-BBTUJRGHSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-13-11-12-23-19(24-13)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+/m0/s1.
What are the key properties of (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
(1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-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 (1R,2R,3R)-1-fluoro-N-hydroxy-2-[4-(4-methylpyrimidin-2-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).