N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide

C21H24F2N2O4 — CID 55740410

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1OC(F)F
InChIInChI=1S/C21H24F2N2O4/c1-27-18-8-7-16(11-19(18)29-21(22)23)20(26)24-12-17-14-25(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,24,26)
InChIKeyXKIKHIFZAUDITR-UHFFFAOYSA-N
MW406.43 g/mol
LogP2.93
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55740410) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55740410
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1OC(F)F
InChIInChI=1S/C21H24F2N2O4/c1-27-18-8-7-16(11-19(18)29-21(22)23)20(26)24-12-17-14-25(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,24,26)
InChIKeyXKIKHIFZAUDITR-UHFFFAOYSA-N
XLogP2.93
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 30468311
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 55740410) is N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)NCC2CN(Cc3ccccc3)CCO2)cc1OC(F)F.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is XKIKHIFZAUDITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-27-18-8-7-16(11-19(18)29-21(22)23)20(26)24-12-17-14-25(9-10-28-17)13-15-5-3-2-4-6-15/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,24,26).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 406.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55740410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).