4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H21ClF2N2O4 — CID 119514863

IUPAC4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCN2)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-21-11-6-9(7-12(22-2)13(11)23-15(16)17)14(20)19-8-10-4-3-5-18-10;/h6-7,10,15,18H,3-5,8H2,1-2H3,(H,19,20);1H
InChIKeyTTYWKGLWSLFFLG-UHFFFAOYSA-N
MW366.79 g/mol
LogP2.21
Rot. Bonds7

About 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119514863) has the molecular formula C15H21ClF2N2O4 and a molecular weight of 366.79 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119514863
Molecular FormulaC15H21ClF2N2O4
Molecular Weight366.79 g/mol
Exact Mass366.12
IUPAC Name4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCN2)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-21-11-6-9(7-12(22-2)13(11)23-15(16)17)14(20)19-8-10-4-3-5-18-10;/h6-7,10,15,18H,3-5,8H2,1-2H3,(H,19,20);1H
InChIKeyTTYWKGLWSLFFLG-UHFFFAOYSA-N
XLogP2.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 11741085
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
4-methoxy-N-methyl-3-[4-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]benzamide;hydrochloride
CID 154904287
3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 115736888

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119514863) is 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is COc1cc(C(=O)NCC2CCCN2)cc(OC)c1OC(F)F.Cl.
What is the InChIKey of 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is TTYWKGLWSLFFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4.ClH/c1-21-11-6-9(7-12(22-2)13(11)23-15(16)17)14(20)19-8-10-4-3-5-18-10;/h6-7,10,15,18H,3-5,8H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 366.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119514863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).