2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid

C12H8ClNO4 — CID 83332901

IUPAC2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C12H8ClNO4/c13-8-4-2-1-3-7(8)11(12(17)18)14-9(15)5-6-10(14)16/h1-6,11H,(H,17,18)
InChIKeyDDHUHXDWUJCDEI-UHFFFAOYSA-N
MW265.65 g/mol
LogP1.39
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid

2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid (PubChem CID 83332901) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid
PubChem CID83332901
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid
SMILESO=C(O)C(c1ccccc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C12H8ClNO4/c13-8-4-2-1-3-7(8)11(12(17)18)14-9(15)5-6-10(14)16/h1-6,11H,(H,17,18)
InChIKeyDDHUHXDWUJCDEI-UHFFFAOYSA-N
XLogP1.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2R)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-(2-chlorophenyl)acetic acid
CID 168506795
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrate;hydrochloride
CID 70104720
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-(2-chlorophenyl)-2-pyrimidin-2-ylacetic acid
CID 82044668
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;perchloric acid
CID 87203169
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid (CID 83332901) is 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid is O=C(O)C(c1ccccc1Cl)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid?
The InChIKey is DDHUHXDWUJCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c13-8-4-2-1-3-7(8)11(12(17)18)14-9(15)5-6-10(14)16/h1-6,11H,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid?
2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid has a molecular weight of 265.65 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2,5-dioxopyrrol-1-yl)acetic acid is sourced from PubChem (CID 83332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).