2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid

C18H17NO5 — CID 118626421

IUPAC2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H17NO5/c1-3-24-16-9-8-12(11(2)20)10-15(16)19-17(21)13-6-4-5-7-14(13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUMGGGFPUILBEDB-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.24
Rot. Bonds6

About 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid

2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid (PubChem CID 118626421) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
PubChem CID118626421
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H17NO5/c1-3-24-16-9-8-12(11(2)20)10-15(16)19-17(21)13-6-4-5-7-14(13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyUMGGGFPUILBEDB-UHFFFAOYSA-N
XLogP3.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid (CID 118626421) is 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid is CCOc1ccc(C(C)=O)cc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid?
The InChIKey is UMGGGFPUILBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-3-24-16-9-8-12(11(2)20)10-15(16)19-17(21)13-6-4-5-7-14(13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid?
2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid has a molecular weight of 327.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 118626421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).