3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide

C17H19BrN2O2 — CID 97247400

IUPAC3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)c(Br)c2ccccc21
InChIInChI=1S/C17H19BrN2O2/c1-20-13-5-3-2-4-11(13)14(18)15(20)17(21)19-12-8-9-22-16(12)10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeyGJEKTIYRGIWKKG-WBMJQRKESA-N
MW363.26 g/mol
LogP3.24
Rot. Bonds3

About 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide

3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide (PubChem CID 97247400) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide
PubChem CID97247400
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)c(Br)c2ccccc21
InChIInChI=1S/C17H19BrN2O2/c1-20-13-5-3-2-4-11(13)14(18)15(20)17(21)19-12-8-9-22-16(12)10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,19,21)/t12-,16+/m1/s1
InChIKeyGJEKTIYRGIWKKG-WBMJQRKESA-N
XLogP3.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide (CID 97247400) is 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide?
The InChIKey is GJEKTIYRGIWKKG-WBMJQRKESA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-20-13-5-3-2-4-11(13)14(18)15(20)17(21)19-12-8-9-22-16(12)10-6-7-10/h2-5,10,12,16H,6-9H2,1H3,(H,19,21)/t12-,16+/m1/s1.
What are the key properties of 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide?
3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 97247400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).