N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide

C17H15BrN2O2 — CID 71840744

IUPACN-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide
SMILESCN1C(=O)Cc2cc(C(=O)NCc3cccc(Br)c3)ccc21
InChIInChI=1S/C17H15BrN2O2/c1-20-15-6-5-12(8-13(15)9-16(20)21)17(22)19-10-11-3-2-4-14(18)7-11/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyOJVDEYHIZAFBTG-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide

N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide (PubChem CID 71840744) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide
PubChem CID71840744
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide
SMILESCN1C(=O)Cc2cc(C(=O)NCc3cccc(Br)c3)ccc21
InChIInChI=1S/C17H15BrN2O2/c1-20-15-6-5-12(8-13(15)9-16(20)21)17(22)19-10-11-3-2-4-14(18)7-11/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyOJVDEYHIZAFBTG-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide (CID 71840744) is N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide is CN1C(=O)Cc2cc(C(=O)NCc3cccc(Br)c3)ccc21.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide?
The InChIKey is OJVDEYHIZAFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-20-15-6-5-12(8-13(15)9-16(20)21)17(22)19-10-11-3-2-4-14(18)7-11/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide?
N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-methyl-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 71840744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).