4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide

C28H21BrN2O — CID 71399214

IUPAC4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1ccccc1)C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H21BrN2O/c29-22-17-15-21(16-18-22)28(32)31(23-11-5-2-6-12-23)27(20-9-3-1-4-10-20)25-19-30-26-14-8-7-13-24(25)26/h1-19,27,30H
InChIKeyOGSMSDPJRVVDPY-UHFFFAOYSA-N
MW481.39 g/mol
LogP7.37
Rot. Bonds5

About 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide

4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide (PubChem CID 71399214) has the molecular formula C28H21BrN2O and a molecular weight of 481.39 g/mol. Its IUPAC name is 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
PubChem CID71399214
Molecular FormulaC28H21BrN2O
Molecular Weight481.39 g/mol
Exact Mass480.08
IUPAC Name4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(c1ccccc1)C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H21BrN2O/c29-22-17-15-21(16-18-22)28(32)31(23-11-5-2-6-12-23)27(20-9-3-1-4-10-20)25-19-30-26-14-8-7-13-24(25)26/h1-19,27,30H
InChIKeyOGSMSDPJRVVDPY-UHFFFAOYSA-N
XLogP7.37
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1H-indol-3-yl(phenyl)methyl]-N-(4-methylphenyl)-4-nitrobenzamide
CID 71399212
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
CID 57379323
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
CID 162689999
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
(2S)-4-[(4-bromobenzoyl)hydrazinylidene]-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 129441168
(2S)-4-(4-bromophenyl)imino-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 1378766
N-[(R)-1H-indol-3-yl(phenyl)methyl]-N-methylpentanamide
CID 26741856
1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123131717

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide?
The IUPAC name of 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide (CID 71399214) is 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide is O=C(c1ccc(Br)cc1)N(c1ccccc1)C(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide?
The InChIKey is OGSMSDPJRVVDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21BrN2O/c29-22-17-15-21(16-18-22)28(32)31(23-11-5-2-6-12-23)27(20-9-3-1-4-10-20)25-19-30-26-14-8-7-13-24(25)26/h1-19,27,30H.
What are the key properties of 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide?
4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide has a molecular weight of 481.39 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 71399214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).