trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

C18H22FNO2 — CID 97013970

IUPACtrans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@H]1c1ccccc1F)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2/t12-,15-,16+/m0/s1
InChIKeyATUAXPJGOCAVPW-VBNZEHGJSA-N
MW303.38 g/mol
LogP2.96
Rot. Bonds5

About trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 97013970) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID97013970
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Nametrans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C([C@@H]1C[C@H]1c1ccccc1F)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2/t12-,15-,16+/m0/s1
InChIKeyATUAXPJGOCAVPW-VBNZEHGJSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (CID 97013970) is trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is O=C([C@@H]1C[C@H]1c1ccccc1F)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ATUAXPJGOCAVPW-VBNZEHGJSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2/t12-,15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-cyclopropyl-2-(2-fluorophenyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).