benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate

C20H20FNO4 — CID 157499451

IUPACbenzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
SMILESCC(=O)c1ccc(C2CN(C(=O)OCc3ccccc3)CCO2)cc1F
InChIInChI=1S/C20H20FNO4/c1-14(23)17-8-7-16(11-18(17)21)19-12-22(9-10-25-19)20(24)26-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyVYFYMDNNIOLFCD-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.74
Rot. Bonds4

About benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate

benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate (PubChem CID 157499451) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
PubChem CID157499451
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Namebenzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
SMILESCC(=O)c1ccc(C2CN(C(=O)OCc3ccccc3)CCO2)cc1F
InChIInChI=1S/C20H20FNO4/c1-14(23)17-8-7-16(11-18(17)21)19-12-22(9-10-25-19)20(24)26-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-13H2,1H3
InChIKeyVYFYMDNNIOLFCD-UHFFFAOYSA-N
XLogP3.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 119315582
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 2-(3-fluoro-4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 66621283

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate?
The IUPAC name of benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate (CID 157499451) is benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate is CC(=O)c1ccc(C2CN(C(=O)OCc3ccccc3)CCO2)cc1F.
What is the InChIKey of benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate?
The InChIKey is VYFYMDNNIOLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-14(23)17-8-7-16(11-18(17)21)19-12-22(9-10-25-19)20(24)26-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-13H2,1H3.
What are the key properties of benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate?
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 157499451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).