2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid

C22H17IN2O4 — CID 10207176

IUPAC2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(I)c1
InChIInChI=1S/C22H17IN2O4/c23-14-5-1-4-13(10-14)11-25-16-7-2-6-15(22(24)28)20(16)21-17(25)8-3-9-18(21)29-12-19(26)27/h1-10H,11-12H2,(H2,24,28)(H,26,27)
InChIKeySKVCADFJTHKAEY-UHFFFAOYSA-N
MW500.29 g/mol
LogP4.01
Rot. Bonds6

About 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid (PubChem CID 10207176) has the molecular formula C22H17IN2O4 and a molecular weight of 500.29 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
PubChem CID10207176
Molecular FormulaC22H17IN2O4
Molecular Weight500.29 g/mol
Exact Mass500.02
IUPAC Name2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(I)c1
InChIInChI=1S/C22H17IN2O4/c23-14-5-1-4-13(10-14)11-25-16-7-2-6-15(22(24)28)20(16)21-17(25)8-3-9-18(21)29-12-19(26)27/h1-10H,11-12H2,(H2,24,28)(H,26,27)
InChIKeySKVCADFJTHKAEY-UHFFFAOYSA-N
XLogP4.01
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
CID 143459807

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid (CID 10207176) is 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(I)c1.
What is the InChIKey of 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid?
The InChIKey is SKVCADFJTHKAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN2O4/c23-14-5-1-4-13(10-14)11-25-16-7-2-6-15(22(24)28)20(16)21-17(25)8-3-9-18(21)29-12-19(26)27/h1-10H,11-12H2,(H2,24,28)(H,26,27).
What are the key properties of 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid has a molecular weight of 500.29 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 10207176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).