4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide

C21H15BrN2O — CID 12026254

IUPAC4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H15BrN2O/c22-16-12-10-15(11-13-16)21(25)24-20-17-8-4-5-9-18(17)23-19(20)14-6-2-1-3-7-14/h1-13,23H,(H,24,25)
InChIKeySIUOFCJCOPDHOP-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.85
Rot. Bonds3

About 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide

4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide (PubChem CID 12026254) has the molecular formula C21H15BrN2O and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
PubChem CID12026254
Molecular FormulaC21H15BrN2O
Molecular Weight391.27 g/mol
Exact Mass390.04
IUPAC Name4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
SMILESO=C(Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H15BrN2O/c22-16-12-10-15(11-13-16)21(25)24-20-17-8-4-5-9-18(17)23-19(20)14-6-2-1-3-7-14/h1-13,23H,(H,24,25)
InChIKeySIUOFCJCOPDHOP-UHFFFAOYSA-N
XLogP5.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3025691
N-(4-bromophenyl)-4-phenylbenzamide
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N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155543225
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
N-(2,4-dibromo-6-phenylphenyl)benzamide
CID 86061877
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
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4-[3-(2-fluoroanilino)-1H-indol-2-yl]benzoic acid
CID 150670028
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
ethyl 3-[(4-bromobenzoyl)amino]-5-phenyl-1H-pyrazole-4-carboxylate
CID 66557736
1-[(1-methylpyrrolidin-3-yl)methyl]-3-(2-phenyl-1H-indol-3-yl)urea
CID 138026361
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide (CID 12026254) is 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide is O=C(Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide?
The InChIKey is SIUOFCJCOPDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O/c22-16-12-10-15(11-13-16)21(25)24-20-17-8-4-5-9-18(17)23-19(20)14-6-2-1-3-7-14/h1-13,23H,(H,24,25).
What are the key properties of 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide?
4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide is sourced from PubChem (CID 12026254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).