2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid

C20H19F2NO4 — CID 124695396

IUPAC2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1F
InChIInChI=1S/C20H19F2NO4/c1-12-8-14(21)3-5-16(12)17-4-2-13(9-18(17)22)20(26)23-6-7-27-15(11-23)10-19(24)25/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJSGHYSNGYICFIZ-HNNXBMFYSA-N
MW375.37 g/mol
LogP3.26
Rot. Bonds4

About 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 124695396) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID124695396
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1F
InChIInChI=1S/C20H19F2NO4/c1-12-8-14(21)3-5-16(12)17-4-2-13(9-18(17)22)20(26)23-6-7-27-15(11-23)10-19(24)25/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJSGHYSNGYICFIZ-HNNXBMFYSA-N
XLogP3.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
CID 119167628
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid (CID 124695396) is 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is JSGHYSNGYICFIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-12-8-14(21)3-5-16(12)17-4-2-13(9-18(17)22)20(26)23-6-7-27-15(11-23)10-19(24)25/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 375.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124695396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).