2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

C21H19ClFNO2 — CID 10406932

IUPAC2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21
InChIInChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)
InChIKeyLHJWQVJJSYPRIX-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.38
Rot. Bonds4

About 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (PubChem CID 10406932) has the molecular formula C21H19ClFNO2 and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
PubChem CID10406932
Molecular FormulaC21H19ClFNO2
Molecular Weight371.84 g/mol
Exact Mass371.11
IUPAC Name2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21
InChIInChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26)
InChIKeyLHJWQVJJSYPRIX-UHFFFAOYSA-N
XLogP5.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The IUPAC name of 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (CID 10406932) is 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The canonical SMILES for 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21.
What is the InChIKey of 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The InChIKey is LHJWQVJJSYPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14H,1-3,10,12H2,(H,25,26).
What are the key properties of 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid has a molecular weight of 371.84 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is sourced from PubChem (CID 10406932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).