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

C20H20F2N2O2 — CID 72663577

IUPAC2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1C(c2ccccc2)C1c1ccc(N2CCC(F)(F)C2)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)10-11-24(12-20)15-8-6-14(7-9-15)17-16(18(17)19(25)23-26)13-4-2-1-3-5-13/h1-9,16-18,26H,10-12H2,(H,23,25)
InChIKeyVJLWXMRFMHLDQI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.53
Rot. Bonds4

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

2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 72663577) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID72663577
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1C(c2ccccc2)C1c1ccc(N2CCC(F)(F)C2)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)10-11-24(12-20)15-8-6-14(7-9-15)17-16(18(17)19(25)23-26)13-4-2-1-3-5-13/h1-9,16-18,26H,10-12H2,(H,23,25)
InChIKeyVJLWXMRFMHLDQI-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
CID 155026115
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 72663582
methyl (1R,2R,3R)-2-[4-(3,3-dimethylazetidin-1-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 90198457
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
benzyl (2R)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-2-hydroxybutanoate
CID 155282536
methyl (1R,2R,3R)-2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 86721150
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 142718712
4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid
CID 166317742
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136
(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 90209361
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 72663577) is 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide is O=C(NO)C1C(c2ccccc2)C1c1ccc(N2CCC(F)(F)C2)cc1.
What is the InChIKey of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is VJLWXMRFMHLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)10-11-24(12-20)15-8-6-14(7-9-15)17-16(18(17)19(25)23-26)13-4-2-1-3-5-13/h1-9,16-18,26H,10-12H2,(H,23,25).
What are the key properties of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 72663577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).