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

C17H19NO4 — CID 2883042

IUPAC3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1
InChIInChI=1S/C17H19NO4/c1-9(19)10-4-6-13(7-5-10)18-16(20)14-11-2-3-12(8-11)15(14)17(21)22/h4-7,11-12,14-15H,2-3,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyPMNXEXMMLCDUGS-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.57
Rot. Bonds4

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

3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 2883042) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID2883042
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1
InChIInChI=1S/C17H19NO4/c1-9(19)10-4-6-13(7-5-10)18-16(20)14-11-2-3-12(8-11)15(14)17(21)22/h4-7,11-12,14-15H,2-3,8H2,1H3,(H,18,20)(H,21,22)
InChIKeyPMNXEXMMLCDUGS-UHFFFAOYSA-N
XLogP2.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 2883042) is 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is CC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PMNXEXMMLCDUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-9(19)10-4-6-13(7-5-10)18-16(20)14-11-2-3-12(8-11)15(14)17(21)22/h4-7,11-12,14-15H,2-3,8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 2883042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).