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

C21H15FN2O4 — CID 66604871

IUPAC8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)O)ccc4c3c2)cc1F
InChIInChI=1S/C21H15FN2O4/c1-28-18-5-3-10(8-16(18)22)12-6-14-13-4-2-11(21(26)27)9-17(13)24-19(14)15(7-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
InChIKeyOTMUDNMQAPOGBM-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.93
Rot. Bonds4

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

8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid (PubChem CID 66604871) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid
PubChem CID66604871
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)O)ccc4c3c2)cc1F
InChIInChI=1S/C21H15FN2O4/c1-28-18-5-3-10(8-16(18)22)12-6-14-13-4-2-11(21(26)27)9-17(13)24-19(14)15(7-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27)
InChIKeyOTMUDNMQAPOGBM-UHFFFAOYSA-N
XLogP3.93
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid?
The IUPAC name of 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid (CID 66604871) is 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)O)ccc4c3c2)cc1F.
What is the InChIKey of 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid?
The InChIKey is OTMUDNMQAPOGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c1-28-18-5-3-10(8-16(18)22)12-6-14-13-4-2-11(21(26)27)9-17(13)24-19(14)15(7-12)20(23)25/h2-9,24H,1H3,(H2,23,25)(H,26,27).
What are the key properties of 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid?
8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid has a molecular weight of 378.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-6-(3-fluoro-4-methoxyphenyl)-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 66604871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).