2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid

C15H14BrNO5 — CID 119247587

IUPAC2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1
InChIInChI=1S/C15H14BrNO5/c16-10-1-2-12-9(5-10)6-13(22-12)15(20)17-3-4-21-11(8-17)7-14(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19)
InChIKeyXMAOELXBOYGPTA-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119247587) has the molecular formula C15H14BrNO5 and a molecular weight of 368.18 g/mol. Its IUPAC name is 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119247587
Molecular FormulaC15H14BrNO5
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC Name2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1
InChIInChI=1S/C15H14BrNO5/c16-10-1-2-12-9(5-10)6-13(22-12)15(20)17-3-4-21-11(8-17)7-14(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19)
InChIKeyXMAOELXBOYGPTA-UHFFFAOYSA-N
XLogP2.51
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
1-benzofuran-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208517
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
2-[4-(4,5-diethylfuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 120687888
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
2-[4-(4-bromo-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421761
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid (CID 119247587) is 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc3cc(Br)ccc3o2)CCO1.
What is the InChIKey of 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is XMAOELXBOYGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO5/c16-10-1-2-12-9(5-10)6-13(22-12)15(20)17-3-4-21-11(8-17)7-14(18)19/h1-2,5-6,11H,3-4,7-8H2,(H,18,19).
What are the key properties of 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 368.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).