5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid

C16H10BrFN2O3 — CID 4680653

IUPAC5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)[nH]c2ccc(Br)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O3/c17-9-3-6-12-11(7-9)13(14(19-12)16(22)23)20-15(21)8-1-4-10(18)5-2-8/h1-7,19H,(H,20,21)(H,22,23)
InChIKeyVVWLPZDQVVCSNE-UHFFFAOYSA-N
MW377.17 g/mol
LogP4.02
Rot. Bonds3

About 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid

5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 4680653) has the molecular formula C16H10BrFN2O3 and a molecular weight of 377.17 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid
PubChem CID4680653
Molecular FormulaC16H10BrFN2O3
Molecular Weight377.17 g/mol
Exact Mass375.99
IUPAC Name5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)[nH]c2ccc(Br)cc12)c1ccc(F)cc1
InChIInChI=1S/C16H10BrFN2O3/c17-9-3-6-12-11(7-9)13(14(19-12)16(22)23)20-15(21)8-1-4-10(18)5-2-8/h1-7,19H,(H,20,21)(H,22,23)
InChIKeyVVWLPZDQVVCSNE-UHFFFAOYSA-N
XLogP4.02
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid (CID 4680653) is 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid is O=C(Nc1c(C(=O)O)[nH]c2ccc(Br)cc12)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is VVWLPZDQVVCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O3/c17-9-3-6-12-11(7-9)13(14(19-12)16(22)23)20-15(21)8-1-4-10(18)5-2-8/h1-7,19H,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid?
5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 377.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-fluorobenzoyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4680653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).