3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C17H20N2O4 — CID 2883143

IUPAC3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c1-9(20)18-12-4-6-13(7-5-12)19-16(21)14-10-2-3-11(8-10)15(14)17(22)23/h4-7,10-11,14-15H,2-3,8H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyNUTITIYKYJGJGB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds4

About 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 2883143) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID2883143
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c1-9(20)18-12-4-6-13(7-5-12)19-16(21)14-10-2-3-11(8-10)15(14)17(22)23/h4-7,10-11,14-15H,2-3,8H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyNUTITIYKYJGJGB-UHFFFAOYSA-N
XLogP2.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 2883143) is 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is CC(=O)Nc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NUTITIYKYJGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9(20)18-12-4-6-13(7-5-12)19-16(21)14-10-2-3-11(8-10)15(14)17(22)23/h4-7,10-11,14-15H,2-3,8H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 2883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).