5-chloro-3-phenyl-1H-indole-2-carboxamide

C15H11ClN2O — CID 3721490

IUPAC5-chloro-3-phenyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)
InChIKeyASGAHGHLFFGPBN-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.59
Rot. Bonds2

About 5-chloro-3-phenyl-1H-indole-2-carboxamide

5-chloro-3-phenyl-1H-indole-2-carboxamide (PubChem CID 3721490) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-phenyl-1H-indole-2-carboxamide
PubChem CID3721490
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name5-chloro-3-phenyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)
InChIKeyASGAHGHLFFGPBN-UHFFFAOYSA-N
XLogP3.59
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-phenyl-1H-indole-2-carboxamide (CID 3721490) is 5-chloro-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-phenyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is ASGAHGHLFFGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19).
What are the key properties of 5-chloro-3-phenyl-1H-indole-2-carboxamide?
5-chloro-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 3721490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).