benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate

C20H22FNO3 — CID 145192081

IUPACbenzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
SMILESO=C(CCc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C20H22FNO3/c21-18-14-16(6-8-19(18)22-10-12-24-13-11-22)7-9-20(23)25-15-17-4-2-1-3-5-17/h1-6,8,14H,7,9-13,15H2
InChIKeyLGSIUNTWOBFJHN-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.34
Rot. Bonds6

About benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate

benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate (PubChem CID 145192081) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
PubChem CID145192081
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Namebenzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
SMILESO=C(CCc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C20H22FNO3/c21-18-14-16(6-8-19(18)22-10-12-24-13-11-22)7-9-20(23)25-15-17-4-2-1-3-5-17/h1-6,8,14H,7,9-13,15H2
InChIKeyLGSIUNTWOBFJHN-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
benzyl N-[(2S)-2,3-dihydroxypropyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 11961359
2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
CID 146106565
azane;benzyl 3-phenylpropanoate
CID 175136325
benzyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate
CID 24938727
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
CID 170870614
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-phenylpropanoate
CID 41162681
benzyl N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 70334634
tert-butyl 4-[2-chloro-4-(4-oxo-4-phenylmethoxybutyl)phenyl]piperazine-1-carboxylate
CID 159203012
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 118398302

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate?
The IUPAC name of benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate (CID 145192081) is benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate.
What is the SMILES notation for benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate?
The canonical SMILES for benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate is O=C(CCc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate?
The InChIKey is LGSIUNTWOBFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-18-14-16(6-8-19(18)22-10-12-24-13-11-22)7-9-20(23)25-15-17-4-2-1-3-5-17/h1-6,8,14H,7,9-13,15H2.
What are the key properties of benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate?
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate has a molecular weight of 343.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate is sourced from PubChem (CID 145192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).