7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide

C13H15ClN2O — CID 110847862

IUPAC7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C13H15ClN2O/c1-8(2)15-13(17)11-7-9-5-4-6-10(14)12(9)16(11)3/h4-8H,1-3H3,(H,15,17)
InChIKeyOSOJDFYOVIDHCW-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds2

About 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide

7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide (PubChem CID 110847862) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
PubChem CID110847862
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C13H15ClN2O/c1-8(2)15-13(17)11-7-9-5-4-6-10(14)12(9)16(11)3/h4-8H,1-3H3,(H,15,17)
InChIKeyOSOJDFYOVIDHCW-UHFFFAOYSA-N
XLogP2.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide?
The IUPAC name of 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide (CID 110847862) is 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide?
The canonical SMILES for 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide is CC(C)NC(=O)c1cc2cccc(Cl)c2n1C.
What is the InChIKey of 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide?
The InChIKey is OSOJDFYOVIDHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8(2)15-13(17)11-7-9-5-4-6-10(14)12(9)16(11)3/h4-8H,1-3H3,(H,15,17).
What are the key properties of 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide?
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 110847862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).