N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide

C20H23FN2O2 — CID 47027052

IUPACN-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCc3ccccc3F)cc2)CCO1
InChIInChI=1S/C20H23FN2O2/c1-15-13-23(10-11-25-15)14-16-6-8-17(9-7-16)20(24)22-12-18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyHURXBBDDKHUGHM-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.98
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide

N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide (PubChem CID 47027052) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
PubChem CID47027052
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NCc3ccccc3F)cc2)CCO1
InChIInChI=1S/C20H23FN2O2/c1-15-13-23(10-11-25-15)14-16-6-8-17(9-7-16)20(24)22-12-18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyHURXBBDDKHUGHM-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 166187099
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
4-[(4-ethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 91913445
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
2-fluoro-3-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 107119326
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide (CID 47027052) is N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)NCc3ccccc3F)cc2)CCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
The InChIKey is HURXBBDDKHUGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-13-23(10-11-25-15)14-16-6-8-17(9-7-16)20(24)22-12-18-4-2-3-5-19(18)21/h2-9,15H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide?
N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 47027052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).