(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

C83H67ClF6N12O8 — CID 161258165

About (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

(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 (PubChem CID 161258165) has the molecular formula C83H67ClF6N12O8 and a molecular weight of 1509.97 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 161258165
• Molecular Formula: C83H67ClF6N12O8
• Molecular Weight: 1509.97 g/mol
• Exact Mass: 1508.48
• IUPAC Name: (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
• SMILES: Cc1cnc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)nc1.Cc1ncc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)cn1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(C(F)F)cn2)cc1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(Cl)cn2)cc1
• InChI: InChI=1S/C21H16F3N3O2.2C21H18FN3O2.C20H15ClFN3O2/c22-18(23)15-10-25-19(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)20(28)27-29;1-13-23-11-17(12-24-13)14-7-9-16(10-8-14)19-18(15-5-3-2-4-6-15)21(19,22)20(26)25-27;1-13-11-23-19(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;21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-18,29H,(H,27,28);2-12,18-19,27H,1H3,(H,25,26);2-12,17-18,27H,1H3,(H,25,26);1-11,16-17,27H,(H,25,26)/t16-,17-,21+;18-,19-,21+;17-,18-,21+;16-,17-,20+/m1111/s1
• InChIKey: VCEZFKKYRIKWFU-UMNXRBDMSA-N
• XLogP: 15.16
• TPSA: 300.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.97
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is Cc1cnc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)nc1.Cc1ncc(-c2ccc([C@@H]3[C@@H](c4ccccc4)[C@@]3(F)C(=O)NO)cc2)cn1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(C(F)F)cn2)cc1.O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(Cl)cn2)cc1.

What is the InChIKey of (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?

The InChIKey is VCEZFKKYRIKWFU-UMNXRBDMSA-N. The full InChI is InChI=1S/C21H16F3N3O2.2C21H18FN3O2.C20H15ClFN3O2/c22-18(23)15-10-25-19(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)20(28)27-29;1-13-23-11-17(12-24-13)14-7-9-16(10-8-14)19-18(15-5-3-2-4-6-15)21(19,22)20(26)25-27;1-13-11-23-19(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;21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-18,29H,(H,27,28);2-12,18-19,27H,1H3,(H,25,26);2-12,17-18,27H,1H3,(H,25,26);1-11,16-17,27H,(H,25,26)/t16-,17-,21+;18-,19-,21+;17-,18-,21+;16-,17-,20+/m1111/s1.

What are the key properties of (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?

(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 has a molecular weight of 1509.97 g/mol, XLogP of 15.16, 17 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 161258165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).