3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

C13H12Cl2N2O4 — CID 43153756

IUPAC3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H12Cl2N2O4/c14-7-4-8(13(20)21)12(9(15)5-7)16-10(18)6-17-3-1-2-11(17)19/h4-5H,1-3,6H2,(H,16,18)(H,20,21)
InChIKeyOBRBCPLCMPUZFD-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.25
Rot. Bonds4

About 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid

3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 43153756) has the molecular formula C13H12Cl2N2O4 and a molecular weight of 331.16 g/mol. Its IUPAC name is 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
PubChem CID43153756
Molecular FormulaC13H12Cl2N2O4
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC Name3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC1=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H12Cl2N2O4/c14-7-4-8(13(20)21)12(9(15)5-7)16-10(18)6-17-3-1-2-11(17)19/h4-5H,1-3,6H2,(H,16,18)(H,20,21)
InChIKeyOBRBCPLCMPUZFD-UHFFFAOYSA-N
XLogP2.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 115295806
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 82811304
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
3,5-dichloro-2-(octanoylamino)benzoic acid
CID 43331454
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113262958

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid (CID 43153756) is 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is O=C(CN1CCCC1=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is OBRBCPLCMPUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4/c14-7-4-8(13(20)21)12(9(15)5-7)16-10(18)6-17-3-1-2-11(17)19/h4-5H,1-3,6H2,(H,16,18)(H,20,21).
What are the key properties of 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid?
3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 331.16 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43153756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).