2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid

C16H15ClN2O4 — CID 108806419

IUPAC2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15ClN2O4/c1-9-5-12(20)6-10(2)19(9)8-15(21)18-11-3-4-14(17)13(7-11)16(22)23/h3-7H,8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyXUSYUOHVYOKZAR-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid

2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid (PubChem CID 108806419) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
PubChem CID108806419
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
SMILESCc1cc(=O)cc(C)n1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15ClN2O4/c1-9-5-12(20)6-10(2)19(9)8-15(21)18-11-3-4-14(17)13(7-11)16(22)23/h3-7H,8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyXUSYUOHVYOKZAR-UHFFFAOYSA-N
XLogP2.46
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
3-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 108794871
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
5-[(2-anilinoacetyl)amino]-2-chlorobenzoic acid
CID 60861944
2-chloro-5-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 30806248
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid (CID 108806419) is 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid is Cc1cc(=O)cc(C)n1CC(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
The InChIKey is XUSYUOHVYOKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-5-12(20)6-10(2)19(9)8-15(21)18-11-3-4-14(17)13(7-11)16(22)23/h3-7H,8H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid?
2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid has a molecular weight of 334.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 108806419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).