4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide

C15H20F2N2O3 — CID 133267024

IUPAC4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCN1C[C@@H](NC(=O)c2ccc(OC(F)F)cc2)[C@H](OC)C1
InChIInChI=1S/C15H20F2N2O3/c1-3-19-8-12(13(9-19)21-2)18-14(20)10-4-6-11(7-5-10)22-15(16)17/h4-7,12-13,15H,3,8-9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyFRYVSACDSZAPIW-CHWSQXEVSA-N
MW314.33 g/mol
LogP1.74
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide (PubChem CID 133267024) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
PubChem CID133267024
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide
SMILESCCN1C[C@@H](NC(=O)c2ccc(OC(F)F)cc2)[C@H](OC)C1
InChIInChI=1S/C15H20F2N2O3/c1-3-19-8-12(13(9-19)21-2)18-14(20)10-4-6-11(7-5-10)22-15(16)17/h4-7,12-13,15H,3,8-9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyFRYVSACDSZAPIW-CHWSQXEVSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71812247
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CID 531836
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CID 532275
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CID 346045
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CID 214004
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CID 81897
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CID 138402798
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CID 23647724
CID 23647724

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide (CID 133267024) is 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide is CCN1C[C@@H](NC(=O)c2ccc(OC(F)F)cc2)[C@H](OC)C1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
The InChIKey is FRYVSACDSZAPIW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-3-19-8-12(13(9-19)21-2)18-14(20)10-4-6-11(7-5-10)22-15(16)17/h4-7,12-13,15H,3,8-9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide?
4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide has a molecular weight of 314.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3R,4R)-1-ethyl-4-methoxypyrrolidin-3-yl]benzamide is sourced from PubChem (CID 133267024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).