[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate

C24H20FN3O4 — CID 59375076

IUPAC[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(OC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20FN3O4/c25-19-4-2-1-3-15(19)16-7-8-18(23(26)29)22-21(16)17-6-5-14(13-20(17)27-22)32-24(30)28-9-11-31-12-10-28/h1-8,13,27H,9-12H2,(H2,26,29)
InChIKeyOBHWWRSPLYAKHQ-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.06
Rot. Bonds3

About [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate

[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate (PubChem CID 59375076) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate
PubChem CID59375076
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(OC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H20FN3O4/c25-19-4-2-1-3-15(19)16-7-8-18(23(26)29)22-21(16)17-6-5-14(13-20(17)27-22)32-24(30)28-9-11-31-12-10-28/h1-8,13,27H,9-12H2,(H2,26,29)
InChIKeyOBHWWRSPLYAKHQ-UHFFFAOYSA-N
XLogP4.06
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 378228
Isopropyl 8-fluoro-1,1-dimethyl-3-(4-(3-morpholin-4-ylpropoxy)benzoyl)-1,2,3,6-tetrahydroazepino(4,5-b)indole-5-carboxylate
CID 44631854
1-benzyl-N-(3,4-difluorobenzyl)-6-ethoxy-2-isopropyl-1H-indole-3-carboxamide
CID 25059487
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-propoxy-1H-indole-3-carboxamide
CID 25059488
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 4909393
2-(3-Fluoro-4-methoxy-phenyl)-8,9,10,11-tetrahydro-3,8,11-triaza-benzo[a]fluoren-7-one
CID 25066617
Isopropyl 8-Fluoro-1,1-dimethyl-3-[4-(2-morpholin-4-ylethoxy)-benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 45103619
3-(4-methoxyphenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 46832441
3-(4-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 46832443
(2-(3-fluoro-2-methylbenzyl)-6-(2-hydroxyethoxy)-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
CID 52949001
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 59375068
3-(3-Methoxyphenyl)-7-(4-morpholinylcarbonyl)-9h-carbazole-1-carboxamide
CID 66604045

Frequently Asked Questions

What is the IUPAC name of [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate?
The IUPAC name of [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate (CID 59375076) is [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate is NC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(OC(=O)N3CCOCC3)ccc12.
What is the InChIKey of [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate?
The InChIKey is OBHWWRSPLYAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-19-4-2-1-3-15(19)16-7-8-18(23(26)29)22-21(16)17-6-5-14(13-20(17)27-22)32-24(30)28-9-11-31-12-10-28/h1-8,13,27H,9-12H2,(H2,26,29).
What are the key properties of [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate?
[8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-carbamoyl-5-(2-fluorophenyl)-9H-carbazol-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 59375076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).