1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide

C23H19BrN2O — CID 51361856

IUPAC1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19BrN2O/c24-20-11-6-9-18(13-20)15-25-23(27)22-14-19-10-4-5-12-21(19)26(22)16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,25,27)
InChIKeyCHCPEMDRDAAZJY-UHFFFAOYSA-N
MW419.32 g/mol
LogP5.38
Rot. Bonds5

About 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide

1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide (PubChem CID 51361856) has the molecular formula C23H19BrN2O and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
PubChem CID51361856
Molecular FormulaC23H19BrN2O
Molecular Weight419.32 g/mol
Exact Mass418.07
IUPAC Name1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H19BrN2O/c24-20-11-6-9-18(13-20)15-25-23(27)22-14-19-10-4-5-12-21(19)26(22)16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,25,27)
InChIKeyCHCPEMDRDAAZJY-UHFFFAOYSA-N
XLogP5.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.32
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
CID 55827646
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
1-[(3-carbamimidoylphenyl)methyl]-N-[(4-chlorophenyl)methyl]indole-2-carboxamide
CID 10905825
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-benzyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]indole-2-carboxamide
CID 56546858
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide (CID 51361856) is 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide is O=C(NCc1cccc(Br)c1)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide?
The InChIKey is CHCPEMDRDAAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O/c24-20-11-6-9-18(13-20)15-25-23(27)22-14-19-10-4-5-12-21(19)26(22)16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,25,27).
What are the key properties of 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide?
1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 51361856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).