N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide

C23H19BrN2O2 — CID 102348592

IUPACN-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
SMILESCOc1ccc2c(ccn2C(=O)N(Cc2ccccc2)c2ccccc2Br)c1
InChIInChI=1S/C23H19BrN2O2/c1-28-19-11-12-21-18(15-19)13-14-25(21)23(27)26(16-17-7-3-2-4-8-17)22-10-6-5-9-20(22)24/h2-15H,16H2,1H3
InChIKeyRFLWACLAEWTIAX-UHFFFAOYSA-N
MW435.32 g/mol
LogP6.09
Rot. Bonds4

About N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide

N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide (PubChem CID 102348592) has the molecular formula C23H19BrN2O2 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
PubChem CID102348592
Molecular FormulaC23H19BrN2O2
Molecular Weight435.32 g/mol
Exact Mass434.06
IUPAC NameN-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
SMILESCOc1ccc2c(ccn2C(=O)N(Cc2ccccc2)c2ccccc2Br)c1
InChIInChI=1S/C23H19BrN2O2/c1-28-19-11-12-21-18(15-19)13-14-25(21)23(27)26(16-17-7-3-2-4-8-17)22-10-6-5-9-20(22)24/h2-15H,16H2,1H3
InChIKeyRFLWACLAEWTIAX-UHFFFAOYSA-N
XLogP6.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide?
The IUPAC name of N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide (CID 102348592) is N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide is COc1ccc2c(ccn2C(=O)N(Cc2ccccc2)c2ccccc2Br)c1.
What is the InChIKey of N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide?
The InChIKey is RFLWACLAEWTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O2/c1-28-19-11-12-21-18(15-19)13-14-25(21)23(27)26(16-17-7-3-2-4-8-17)22-10-6-5-9-20(22)24/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide?
N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide is sourced from PubChem (CID 102348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).