2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid

C22H15FN2O4 — CID 54135436

IUPAC2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(=O)C(=O)O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C22H15FN2O4/c23-13-5-1-4-12(10-13)11-25-16-8-2-6-14(20(26)22(28)29)18(16)19-15(21(24)27)7-3-9-17(19)25/h1-10H,11H2,(H2,24,27)(H,28,29)
InChIKeyNXIXOLURZOUQRK-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.35
Rot. Bonds5

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

2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid (PubChem CID 54135436) has the molecular formula C22H15FN2O4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
PubChem CID54135436
Molecular FormulaC22H15FN2O4
Molecular Weight390.37 g/mol
Exact Mass390.10
IUPAC Name2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(=O)C(=O)O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C22H15FN2O4/c23-13-5-1-4-12(10-13)11-25-16-8-2-6-14(20(26)22(28)29)18(16)19-15(21(24)27)7-3-9-17(19)25/h1-10H,11H2,(H2,24,27)(H,28,29)
InChIKeyNXIXOLURZOUQRK-UHFFFAOYSA-N
XLogP3.35
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159
6-fluoro-9-[[3-(trifluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174414934
methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738295
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
CID 174639472
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
8-fluoro-9-[(3-phenylmethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174440705
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid (CID 54135436) is 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid is NC(=O)c1cccc2c1c1c(C(=O)C(=O)O)cccc1n2Cc1cccc(F)c1.
What is the InChIKey of 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid?
The InChIKey is NXIXOLURZOUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O4/c23-13-5-1-4-12(10-13)11-25-16-8-2-6-14(20(26)22(28)29)18(16)19-15(21(24)27)7-3-9-17(19)25/h1-10H,11H2,(H2,24,27)(H,28,29).
What are the key properties of 2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid?
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid has a molecular weight of 390.37 g/mol, XLogP of 3.35, 5 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-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid is sourced from PubChem (CID 54135436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).