2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid

C12H10ClN3O5 — CID 63723093

IUPAC2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1C(=O)CNC1=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H10ClN3O5/c13-6-2-1-3-7(10(6)11(19)20)15-8(17)5-16-9(18)4-14-12(16)21/h1-3H,4-5H2,(H,14,21)(H,15,17)(H,19,20)
InChIKeyKRDHTORWPJZDGF-UHFFFAOYSA-N
MW311.68 g/mol
LogP0.53
Rot. Bonds4

About 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid

2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 63723093) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid
PubChem CID63723093
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC Name2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1C(=O)CNC1=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H10ClN3O5/c13-6-2-1-3-7(10(6)11(19)20)15-8(17)5-16-9(18)4-14-12(16)21/h1-3H,4-5H2,(H,14,21)(H,15,17)(H,19,20)
InChIKeyKRDHTORWPJZDGF-UHFFFAOYSA-N
XLogP0.53
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62948565
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
N-(2-chlorophenyl)-2-(2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 94763882
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 75402223
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
CID 64612265
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 110686826
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid (CID 63723093) is 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid is O=C(CN1C(=O)CNC1=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is KRDHTORWPJZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c13-6-2-1-3-7(10(6)11(19)20)15-8(17)5-16-9(18)4-14-12(16)21/h1-3H,4-5H2,(H,14,21)(H,15,17)(H,19,20).
What are the key properties of 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid?
2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 311.68 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63723093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).