2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

C14H18F2N2O2 — CID 104971956

IUPAC2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-1-5-11(12)13(19)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t10-/m1/s1
InChIKeySHXOZDUSLGQIAQ-SNVBAGLBSA-N
MW284.31 g/mol
LogP2.16
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104971956) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104971956
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccccc1OC(F)F
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-1-5-11(12)13(19)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t10-/m1/s1
InChIKeySHXOZDUSLGQIAQ-SNVBAGLBSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
CID 105064206
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (CID 104971956) is 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is O=C(NCC[C@H]1CCCN1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is SHXOZDUSLGQIAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-6-2-1-5-11(12)13(19)18-9-7-10-4-3-8-17-10/h1-2,5-6,10,14,17H,3-4,7-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104971956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).