2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

C21H19FN2O3 — CID 11696297

IUPAC2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CC(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C21H19FN2O3/c22-16-6-2-3-7-17(16)23-21(27)13-9-10-19-15(11-13)14-5-1-4-8-18(14)24(19)12-20(25)26/h1-8,13H,9-12H2,(H,23,27)(H,25,26)
InChIKeySRBWACXGKLBIIK-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.61
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid

2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (PubChem CID 11696297) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
PubChem CID11696297
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3ccccc31)CC(C(=O)Nc1ccccc1F)CC2
InChIInChI=1S/C21H19FN2O3/c22-16-6-2-3-7-17(16)23-21(27)13-9-10-19-15(11-13)14-5-1-4-8-18(14)24(19)12-20(25)26/h1-8,13H,9-12H2,(H,23,27)(H,25,26)
InChIKeySRBWACXGKLBIIK-UHFFFAOYSA-N
XLogP3.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid (CID 11696297) is 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is O=C(O)Cn1c2c(c3ccccc31)CC(C(=O)Nc1ccccc1F)CC2.
What is the InChIKey of 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
The InChIKey is SRBWACXGKLBIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-16-6-2-3-7-17(16)23-21(27)13-9-10-19-15(11-13)14-5-1-4-8-18(14)24(19)12-20(25)26/h1-8,13H,9-12H2,(H,23,27)(H,25,26).
What are the key properties of 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid?
2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid has a molecular weight of 366.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid is sourced from PubChem (CID 11696297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).