5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid

C11H10ClNO3 — CID 16772914

IUPAC5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1N1CCCC1=O
InChIInChI=1S/C11H10ClNO3/c12-7-3-4-9(8(6-7)11(15)16)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyQAZFNHSEJGJATJ-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.16
Rot. Bonds2

About 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid

5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid (PubChem CID 16772914) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
PubChem CID16772914
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1N1CCCC1=O
InChIInChI=1S/C11H10ClNO3/c12-7-3-4-9(8(6-7)11(15)16)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16)
InChIKeyQAZFNHSEJGJATJ-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamic acid
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2-(azetidin-1-yl)-5-chlorobenzoic acid
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2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-one
CID 81273262
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
1-[5-chloro-2-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 30739774
1-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolidin-2-one
CID 81275521
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid?
The IUPAC name of 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid (CID 16772914) is 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid is O=C(O)c1cc(Cl)ccc1N1CCCC1=O.
What is the InChIKey of 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid?
The InChIKey is QAZFNHSEJGJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-7-3-4-9(8(6-7)11(15)16)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16).
What are the key properties of 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid?
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid has a molecular weight of 239.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 16772914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).