sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate

C22H15F2N2NaO4 — CID 21304067

IUPACsodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2Cc1cccc(F)c1F.[Na+]
InChIInChI=1S/C22H16F2N2O4.Na/c23-14-6-1-4-12(21(14)24)10-26-15-7-2-5-13(22(25)29)19(15)20-16(26)8-3-9-17(20)30-11-18(27)28;/h1-9H,10-11H2,(H2,25,29)(H,27,28);/q;+1/p-1
InChIKeyQFQDDZFDAVJVHV-UHFFFAOYSA-M
MW432.36 g/mol
LogP-0.65
Rot. Bonds6

About sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate

sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate (PubChem CID 21304067) has the molecular formula C22H15F2N2NaO4 and a molecular weight of 432.36 g/mol. Its IUPAC name is sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namesodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
PubChem CID21304067
Molecular FormulaC22H15F2N2NaO4
Molecular Weight432.36 g/mol
Exact Mass432.09
IUPAC Namesodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2Cc1cccc(F)c1F.[Na+]
InChIInChI=1S/C22H16F2N2O4.Na/c23-14-6-1-4-12(21(14)24)10-26-15-7-2-5-13(22(25)29)19(15)20-16(26)8-3-9-17(20)30-11-18(27)28;/h1-9H,10-11H2,(H2,25,29)(H,27,28);/q;+1/p-1
InChIKeyQFQDDZFDAVJVHV-UHFFFAOYSA-M
XLogP-0.65
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 25034675
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
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
[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
CID 91121386
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
2-[2-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410

Frequently Asked Questions

What is the IUPAC name of sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The IUPAC name of sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate (CID 21304067) is sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate.
What is the SMILES notation for sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The canonical SMILES for sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate is NC(=O)c1cccc2c1c1c(OCC(=O)[O-])cccc1n2Cc1cccc(F)c1F.[Na+].
What is the InChIKey of sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The InChIKey is QFQDDZFDAVJVHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H16F2N2O4.Na/c23-14-6-1-4-12(21(14)24)10-26-15-7-2-5-13(22(25)29)19(15)20-16(26)8-3-9-17(20)30-11-18(27)28;/h1-9H,10-11H2,(H2,25,29)(H,27,28);/q;+1/p-1.
What are the key properties of sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate has a molecular weight of 432.36 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate is sourced from PubChem (CID 21304067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).