N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide

C21H20F3NO2 — CID 134953084

IUPACN-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide
SMILESO=C(NC1([C@H]2CO[C@@H](c3cc(F)c(F)cc3F)C2)CCC1)c1ccccc1
InChIInChI=1S/C21H20F3NO2/c22-16-11-18(24)17(23)10-15(16)19-9-14(12-27-19)21(7-4-8-21)25-20(26)13-5-2-1-3-6-13/h1-3,5-6,10-11,14,19H,4,7-9,12H2,(H,25,26)/t14-,19-/m1/s1
InChIKeyBEMDDMQSTSLQJC-AUUYWEPGSA-N
MW375.39 g/mol
LogP4.53
Rot. Bonds4

About N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide

N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide (PubChem CID 134953084) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide
PubChem CID134953084
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide
SMILESO=C(NC1([C@H]2CO[C@@H](c3cc(F)c(F)cc3F)C2)CCC1)c1ccccc1
InChIInChI=1S/C21H20F3NO2/c22-16-11-18(24)17(23)10-15(16)19-9-14(12-27-19)21(7-4-8-21)25-20(26)13-5-2-1-3-6-13/h1-3,5-6,10-11,14,19H,4,7-9,12H2,(H,25,26)/t14-,19-/m1/s1
InChIKeyBEMDDMQSTSLQJC-AUUYWEPGSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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[(1R,2R)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] benzoate
CID 132580068
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CID 139192055
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CID 166445873
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CID 89947484
N-[1,1,1,3,3,3-hexafluoro-2-[(4-fluorophenyl)methoxy]propan-2-yl]benzamide
CID 2817604
N-(1-[2-(2,6-Difluorobenzyloxy)-4-methylcyclohex-3-enyl]-1-methylethyl)benzamide
CID 570936
Ethyl 2,3,5-trifluoro-4-[2-methyl-1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 15136260
[2-[(2,4-Difluorobenzoyl)amino]-2-methylpropyl] benzoate
CID 15547623
[4-[[(4-Fluorobenzoyl)amino]methyl]-2,2,6-trimethylheptan-3-yl] 4-fluorobenzoate
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[3-[(4-Fluorobenzoyl)amino]-2-phenylpropyl] 4-fluorobenzoate
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide?
The IUPAC name of N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide (CID 134953084) is N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide.
What is the SMILES notation for N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide?
The canonical SMILES for N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide is O=C(NC1([C@H]2CO[C@@H](c3cc(F)c(F)cc3F)C2)CCC1)c1ccccc1.
What is the InChIKey of N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide?
The InChIKey is BEMDDMQSTSLQJC-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H20F3NO2/c22-16-11-18(24)17(23)10-15(16)19-9-14(12-27-19)21(7-4-8-21)25-20(26)13-5-2-1-3-6-13/h1-3,5-6,10-11,14,19H,4,7-9,12H2,(H,25,26)/t14-,19-/m1/s1.
What are the key properties of N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide?
N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide has a molecular weight of 375.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5R)-5-(2,4,5-trifluorophenyl)oxolan-3-yl]cyclobutyl]benzamide is sourced from PubChem (CID 134953084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).