2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid

C23H18F2N2O4 — CID 154451965

IUPAC2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCc1cccc(F)c1F
InChIInChI=1S/C23H18F2N2O4/c24-15-6-1-4-13(22(15)25)10-11-27-16-7-2-5-14(23(26)30)20(16)21-17(27)8-3-9-18(21)31-12-19(28)29/h1-9H,10-12H2,(H2,26,30)(H,28,29)
InChIKeyFAHWOYDOYYBNSY-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.88
Rot. Bonds7

About 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid (PubChem CID 154451965) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
PubChem CID154451965
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCc1cccc(F)c1F
InChIInChI=1S/C23H18F2N2O4/c24-15-6-1-4-13(22(15)25)10-11-27-16-7-2-5-14(23(26)30)20(16)21-17(27)8-3-9-18(21)31-12-19(28)29/h1-9H,10-12H2,(H2,26,30)(H,28,29)
InChIKeyFAHWOYDOYYBNSY-UHFFFAOYSA-N
XLogP3.88
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[5-carbamoyl-9-[(2,6-difluorophenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid
CID 10179805
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[2-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798
2-[5-carbamoyl-9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid
CID 10161721
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
2-[5-carbamoyl-9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indol-4-yl]oxyacetic acid
CID 10298294
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid (CID 154451965) is 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCc1cccc(F)c1F.
What is the InChIKey of 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid?
The InChIKey is FAHWOYDOYYBNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c24-15-6-1-4-13(22(15)25)10-11-27-16-7-2-5-14(23(26)30)20(16)21-17(27)8-3-9-18(21)31-12-19(28)29/h1-9H,10-12H2,(H2,26,30)(H,28,29).
What are the key properties of 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid has a molecular weight of 424.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 154451965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).