N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide

C27H27BrN2O — CID 20900096

IUPACN-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccccc3Br)c3ccccc32)c1
InChIInChI=1S/C27H27BrN2O/c1-19-11-12-20(2)23(15-19)18-30-17-22(24-8-4-6-10-26(24)30)13-14-27(31)29-16-21-7-3-5-9-25(21)28/h3-12,15,17H,13-14,16,18H2,1-2H3,(H,29,31)
InChIKeyQIZQQQYDYDPUDB-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.32
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide

N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 20900096) has the molecular formula C27H27BrN2O and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
PubChem CID20900096
Molecular FormulaC27H27BrN2O
Molecular Weight475.43 g/mol
Exact Mass474.13
IUPAC NameN-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccccc3Br)c3ccccc32)c1
InChIInChI=1S/C27H27BrN2O/c1-19-11-12-20(2)23(15-19)18-30-17-22(24-8-4-6-10-26(24)30)13-14-27(31)29-16-21-7-3-5-9-25(21)28/h3-12,15,17H,13-14,16,18H2,1-2H3,(H,29,31)
InChIKeyQIZQQQYDYDPUDB-UHFFFAOYSA-N
XLogP6.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20900099
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20900039
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)propanamide
CID 60739656
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
CID 10740075

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide (CID 20900096) is N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide is Cc1ccc(C)c(Cn2cc(CCC(=O)NCc3ccccc3Br)c3ccccc32)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is QIZQQQYDYDPUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN2O/c1-19-11-12-20(2)23(15-19)18-30-17-22(24-8-4-6-10-26(24)30)13-14-27(31)29-16-21-7-3-5-9-25(21)28/h3-12,15,17H,13-14,16,18H2,1-2H3,(H,29,31).
What are the key properties of N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide?
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 475.43 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20900096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).