8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid

C21H15FN2O3 — CID 66605358

IUPAC8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)O)cc4c3c2)c(F)c1
InChIInChI=1S/C21H15FN2O3/c1-10-2-4-13(17(22)6-10)12-8-15-14-7-11(21(26)27)3-5-18(14)24-19(15)16(9-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
InChIKeyDLYZOHLNFVNOBJ-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.23
Rot. Bonds3

About 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid

8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid (PubChem CID 66605358) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid
PubChem CID66605358
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)O)cc4c3c2)c(F)c1
InChIInChI=1S/C21H15FN2O3/c1-10-2-4-13(17(22)6-10)12-8-15-14-7-11(21(26)27)3-5-18(14)24-19(15)16(9-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
InChIKeyDLYZOHLNFVNOBJ-UHFFFAOYSA-N
XLogP4.23
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid?
The IUPAC name of 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid (CID 66605358) is 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid.
What is the SMILES notation for 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid?
The canonical SMILES for 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid is Cc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)O)cc4c3c2)c(F)c1.
What is the InChIKey of 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid?
The InChIKey is DLYZOHLNFVNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-10-2-4-13(17(22)6-10)12-8-15-14-7-11(21(26)27)3-5-18(14)24-19(15)16(9-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27).
What are the key properties of 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid?
8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid has a molecular weight of 362.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-6-(2-fluoro-4-methylphenyl)-9H-carbazole-3-carboxylic acid is sourced from PubChem (CID 66605358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).