3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

C15H20F2N2O3 — CID 119534962

IUPAC3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCC2CCNC2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-3-2-11(8-13(12)22-15(16)17)14(20)19-7-5-10-4-6-18-9-10/h2-3,8,10,15,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyADBIOHRJHHCTDA-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.03
Rot. Bonds7

About 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119534962) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119534962
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCC2CCNC2)cc1OC(F)F
InChIInChI=1S/C15H20F2N2O3/c1-21-12-3-2-11(8-13(12)22-15(16)17)14(20)19-7-5-10-4-6-18-9-10/h2-3,8,10,15,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyADBIOHRJHHCTDA-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391951

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119534962) is 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1ccc(C(=O)NCCC2CCNC2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is ADBIOHRJHHCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-21-12-3-2-11(8-13(12)22-15(16)17)14(20)19-7-5-10-4-6-18-9-10/h2-3,8,10,15,18H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 314.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119534962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).