8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid

C20H13FN2O3 — CID 59375023

IUPAC8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C20H13FN2O3/c21-15-4-2-1-3-11(15)12-7-8-14(19(22)24)18-17(12)13-6-5-10(20(25)26)9-16(13)23-18/h1-9,23H,(H2,22,24)(H,25,26)
InChIKeyFHJKNZDYZFJMRQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.92
Rot. Bonds3

About 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid

8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid (PubChem CID 59375023) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
PubChem CID59375023
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(C(=O)O)ccc12
InChIInChI=1S/C20H13FN2O3/c21-15-4-2-1-3-11(15)12-7-8-14(19(22)24)18-17(12)13-6-5-10(20(25)26)9-16(13)23-18/h1-9,23H,(H2,22,24)(H,25,26)
InChIKeyFHJKNZDYZFJMRQ-UHFFFAOYSA-N
XLogP3.92
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid?
The IUPAC name of 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid (CID 59375023) is 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid is NC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(C(=O)O)ccc12.
What is the InChIKey of 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid?
The InChIKey is FHJKNZDYZFJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-15-4-2-1-3-11(15)12-7-8-14(19(22)24)18-17(12)13-6-5-10(20(25)26)9-16(13)23-18/h1-9,23H,(H2,22,24)(H,25,26).
What are the key properties of 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid?
8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid has a molecular weight of 348.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 59375023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).