N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide

C17H15BrN2O — CID 4058006

IUPACN-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Br
InChIInChI=1S/C17H15BrN2O/c1-12-10-14(6-7-15(12)18)19-17(21)11-20-9-8-13-4-2-3-5-16(13)20/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKLUFNFUBDDZZDL-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.35
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide

N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide (PubChem CID 4058006) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
PubChem CID4058006
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Br
InChIInChI=1S/C17H15BrN2O/c1-12-10-14(6-7-15(12)18)19-17(21)11-20-9-8-13-4-2-3-5-16(13)20/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKLUFNFUBDDZZDL-UHFFFAOYSA-N
XLogP4.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
5-[(2-indol-1-ylacetyl)amino]-2,4-dimethylbenzoic acid
CID 138043722
N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
CID 87042646
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047
N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3488325
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide (CID 4058006) is N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide is Cc1cc(NC(=O)Cn2ccc3ccccc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide?
The InChIKey is KLUFNFUBDDZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12-10-14(6-7-15(12)18)19-17(21)11-20-9-8-13-4-2-3-5-16(13)20/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide?
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide has a molecular weight of 343.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 4058006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).