2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid

C15H18ClFN2O4 — CID 146134957

IUPAC2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESCC(=O)NCC1CN(C(C(=O)O)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C15H18ClFN2O4/c1-9(20)18-7-10-8-19(5-6-23-10)14(15(21)22)13-11(16)3-2-4-12(13)17/h2-4,10,14H,5-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyLSPFFFCJRTYAAB-UHFFFAOYSA-N
MW344.77 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid

2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid (PubChem CID 146134957) has the molecular formula C15H18ClFN2O4 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid
PubChem CID146134957
Molecular FormulaC15H18ClFN2O4
Molecular Weight344.77 g/mol
Exact Mass344.09
IUPAC Name2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid
SMILESCC(=O)NCC1CN(C(C(=O)O)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C15H18ClFN2O4/c1-9(20)18-7-10-8-19(5-6-23-10)14(15(21)22)13-11(16)3-2-4-12(13)17/h2-4,10,14H,5-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyLSPFFFCJRTYAAB-UHFFFAOYSA-N
XLogP1.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
2-(2-chloro-6-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83978415
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)acetic acid
CID 83978431
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
CID 47035989
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-methylbutanamide
CID 94866265
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119849364
N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 97218270
(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
CID 119849378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid?
The IUPAC name of 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid (CID 146134957) is 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid?
The canonical SMILES for 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid is CC(=O)NCC1CN(C(C(=O)O)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid?
The InChIKey is LSPFFFCJRTYAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O4/c1-9(20)18-7-10-8-19(5-6-23-10)14(15(21)22)13-11(16)3-2-4-12(13)17/h2-4,10,14H,5-8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid?
2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid has a molecular weight of 344.77 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)morpholin-4-yl]-2-(2-chloro-6-fluorophenyl)acetic acid is sourced from PubChem (CID 146134957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).