ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate

C22H17FN2O3 — CID 59375158

IUPACethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3ccccc3F)c12
InChIInChI=1S/C22H17FN2O3/c1-2-28-22(27)12-7-8-15-18(11-12)25-20-16(21(24)26)10-9-14(19(15)20)13-5-3-4-6-17(13)23/h3-11,25H,2H2,1H3,(H2,24,26)
InChIKeyBLNSPPQJAHQSRH-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.40
Rot. Bonds4

About ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate

ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate (PubChem CID 59375158) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
PubChem CID59375158
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Nameethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3ccccc3F)c12
InChIInChI=1S/C22H17FN2O3/c1-2-28-22(27)12-7-8-15-18(11-12)25-20-16(21(24)26)10-9-14(19(15)20)13-5-3-4-6-17(13)23/h3-11,25H,2H2,1H3,(H2,24,26)
InChIKeyBLNSPPQJAHQSRH-UHFFFAOYSA-N
XLogP4.40
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
CID 59375023
4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide
CID 59375101
4-(2-fluoro-6-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174635626
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-9H-carbazole-1,7-dicarboxamide
CID 174734483
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-N-(3-methoxyphenyl)-9H-carbazole-1,7-dicarboxamide
CID 141366023
diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
CID 14976421
4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366346
8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid
CID 90375099
4-(3-anilino-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 130362597
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
4-[5-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366324
7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 91392090

Frequently Asked Questions

What is the IUPAC name of ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate?
The IUPAC name of ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate (CID 59375158) is ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate is CCOC(=O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3ccccc3F)c12.
What is the InChIKey of ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate?
The InChIKey is BLNSPPQJAHQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-2-28-22(27)12-7-8-15-18(11-12)25-20-16(21(24)26)10-9-14(19(15)20)13-5-3-4-6-17(13)23/h3-11,25H,2H2,1H3,(H2,24,26).
What are the key properties of ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate?
ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate has a molecular weight of 376.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate is sourced from PubChem (CID 59375158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).