5-chloro-1-methyl-3-phenylindole-2-carboxamide

C16H13ClN2O — CID 70581519

IUPAC5-chloro-1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H13ClN2O/c1-19-13-8-7-11(17)9-12(13)14(15(19)16(18)20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20)
InChIKeyWVSRCIODJRBJNB-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.60
Rot. Bonds2

About 5-chloro-1-methyl-3-phenylindole-2-carboxamide

5-chloro-1-methyl-3-phenylindole-2-carboxamide (PubChem CID 70581519) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-phenylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-3-phenylindole-2-carboxamide
PubChem CID70581519
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-chloro-1-methyl-3-phenylindole-2-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H13ClN2O/c1-19-13-8-7-11(17)9-12(13)14(15(19)16(18)20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20)
InChIKeyWVSRCIODJRBJNB-UHFFFAOYSA-N
XLogP3.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-phenylindole-2-carboxamide?
The IUPAC name of 5-chloro-1-methyl-3-phenylindole-2-carboxamide (CID 70581519) is 5-chloro-1-methyl-3-phenylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-3-phenylindole-2-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-3-phenylindole-2-carboxamide is Cn1c(C(N)=O)c(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-phenylindole-2-carboxamide?
The InChIKey is WVSRCIODJRBJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-19-13-8-7-11(17)9-12(13)14(15(19)16(18)20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20).
What are the key properties of 5-chloro-1-methyl-3-phenylindole-2-carboxamide?
5-chloro-1-methyl-3-phenylindole-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-phenylindole-2-carboxamide is sourced from PubChem (CID 70581519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).