2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid

C13H13ClFNO4 — CID 81266026

IUPAC2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFNO4/c14-10-3-1-2-9(12(10)15)13(19)16-4-5-20-7-8(16)6-11(17)18/h1-3,8H,4-7H2,(H,17,18)
InChIKeyHUYLXJVNTWKSSB-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid

2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid (PubChem CID 81266026) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
PubChem CID81266026
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFNO4/c14-10-3-1-2-9(12(10)15)13(19)16-4-5-20-7-8(16)6-11(17)18/h1-3,8H,4-7H2,(H,17,18)
InChIKeyHUYLXJVNTWKSSB-UHFFFAOYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid (CID 81266026) is 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid?
The InChIKey is HUYLXJVNTWKSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO4/c14-10-3-1-2-9(12(10)15)13(19)16-4-5-20-7-8(16)6-11(17)18/h1-3,8H,4-7H2,(H,17,18).
What are the key properties of 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid?
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid has a molecular weight of 301.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 81266026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).