2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid

C28H23N3O6 — CID 67567598

IUPAC2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid
SMILESCC(=O)Nc1ccccc1Cn1c2cc(-c3ccco3)cc(OCC(=O)O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C28H23N3O6/c1-16(32)30-20-8-3-2-6-17(20)14-31-21-9-4-7-19(28(29)35)26(21)27-22(31)12-18(23-10-5-11-36-23)13-24(27)37-15-25(33)34/h2-13H,14-15H2,1H3,(H2,29,35)(H,30,32)(H,33,34)
InChIKeyXRPJRFYINSOQLS-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.62
Rot. Bonds8

About 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid

2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid (PubChem CID 67567598) has the molecular formula C28H23N3O6 and a molecular weight of 497.51 g/mol. Its IUPAC name is 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid
PubChem CID67567598
Molecular FormulaC28H23N3O6
Molecular Weight497.51 g/mol
Exact Mass497.16
IUPAC Name2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid
SMILESCC(=O)Nc1ccccc1Cn1c2cc(-c3ccco3)cc(OCC(=O)O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C28H23N3O6/c1-16(32)30-20-8-3-2-6-17(20)14-31-21-9-4-7-19(28(29)35)26(21)27-22(31)12-18(23-10-5-11-36-23)13-24(27)37-15-25(33)34/h2-13H,14-15H2,1H3,(H2,29,35)(H,30,32)(H,33,34)
InChIKeyXRPJRFYINSOQLS-UHFFFAOYSA-N
XLogP4.62
TPSA136.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 67567398
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
7-(furan-2-yl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174414539
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
9-[(3-acetamidophenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174399458
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
2-[2-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid (CID 67567598) is 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid is CC(=O)Nc1ccccc1Cn1c2cc(-c3ccco3)cc(OCC(=O)O)c2c2c(C(N)=O)cccc21.
What is the InChIKey of 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid?
The InChIKey is XRPJRFYINSOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O6/c1-16(32)30-20-8-3-2-6-17(20)14-31-21-9-4-7-19(28(29)35)26(21)27-22(31)12-18(23-10-5-11-36-23)13-24(27)37-15-25(33)34/h2-13H,14-15H2,1H3,(H2,29,35)(H,30,32)(H,33,34).
What are the key properties of 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid?
2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid has a molecular weight of 497.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 67567598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).