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

C23H18F2N2O4 — CID 86756275

IUPACmethyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1cccc(F)c1F
InChIInChI=1S/C23H18F2N2O4/c1-30-19(28)12-31-18-10-4-9-17-21(18)20-14(23(26)29)6-3-8-16(20)27(17)11-13-5-2-7-15(24)22(13)25/h2-10H,11-12H2,1H3,(H2,26,29)
InChIKeyLCJOXWCQHMXHCK-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.77
Rot. Bonds6

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

methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate (PubChem CID 86756275) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
PubChem CID86756275
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Namemethyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1cccc(F)c1F
InChIInChI=1S/C23H18F2N2O4/c1-30-19(28)12-31-18-10-4-9-17-21(18)20-14(23(26)29)6-3-8-16(20)27(17)11-13-5-2-7-15(24)22(13)25/h2-10H,11-12H2,1H3,(H2,26,29)
InChIKeyLCJOXWCQHMXHCK-UHFFFAOYSA-N
XLogP3.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
CID 86756280
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
CID 91121386
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
9-[(2,3,4-trifluorophenyl)methyl]carbazole-4-carboxamide
CID 174400319
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
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-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate (CID 86756275) is methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate is COC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1cccc(F)c1F.
What is the InChIKey of methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
The InChIKey is LCJOXWCQHMXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c1-30-19(28)12-31-18-10-4-9-17-21(18)20-14(23(26)29)6-3-8-16(20)27(17)11-13-5-2-7-15(24)22(13)25/h2-10H,11-12H2,1H3,(H2,26,29).
What are the key properties of methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate?
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate has a molecular weight of 424.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate is sourced from PubChem (CID 86756275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).