2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide

C20H21BrN2O — CID 113084108

IUPAC2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21BrN2O/c1-20(2,17-12-22-18-9-4-3-8-16(17)18)13-23-19(24)11-14-6-5-7-15(21)10-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,24)
InChIKeyDCKMSIQRHWTUBI-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.57
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide

2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide (PubChem CID 113084108) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
PubChem CID113084108
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21BrN2O/c1-20(2,17-12-22-18-9-4-3-8-16(17)18)13-23-19(24)11-14-6-5-7-15(21)10-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,24)
InChIKeyDCKMSIQRHWTUBI-UHFFFAOYSA-N
XLogP4.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide (CID 113084108) is 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cc1cccc(Br)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide?
The InChIKey is DCKMSIQRHWTUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-20(2,17-12-22-18-9-4-3-8-16(17)18)13-23-19(24)11-14-6-5-7-15(21)10-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide?
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide has a molecular weight of 385.31 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 113084108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).