2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid

C18H19ClN2O5 — CID 119247655

IUPAC2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C18H19ClN2O5/c1-25-16-10-15(20-4-2-3-5-20)14(19)9-13(16)18(24)21-6-7-26-12(11-21)8-17(22)23/h2-5,9-10,12H,6-8,11H2,1H3,(H,22,23)
InChIKeyRCYKBALMTBYZOO-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119247655) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID119247655
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C18H19ClN2O5/c1-25-16-10-15(20-4-2-3-5-20)14(19)9-13(16)18(24)21-6-7-26-12(11-21)8-17(22)23/h2-5,9-10,12H,6-8,11H2,1H3,(H,22,23)
InChIKeyRCYKBALMTBYZOO-UHFFFAOYSA-N
XLogP2.45
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561895
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-(2-chloro-5-methylsulfanylbenzoyl)morpholin-2-yl]acetic acid
CID 66420368
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid (CID 119247655) is 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid is COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is RCYKBALMTBYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-25-16-10-15(20-4-2-3-5-20)14(19)9-13(16)18(24)21-6-7-26-12(11-21)8-17(22)23/h2-5,9-10,12H,6-8,11H2,1H3,(H,22,23).
What are the key properties of 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 378.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).