2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

C19H17BrF2N2O2 — CID 38756441

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H17BrF2N2O2/c1-11-14(15-8-13(20)6-7-16(15)24-11)9-18(25)23-10-12-4-2-3-5-17(12)26-19(21)22/h2-8,19,24H,9-10H2,1H3,(H,23,25)
InChIKeyWDYYHHGGSHPCRP-UHFFFAOYSA-N
MW423.26 g/mol
LogP4.70
Rot. Bonds6

About 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 38756441) has the molecular formula C19H17BrF2N2O2 and a molecular weight of 423.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID38756441
Molecular FormulaC19H17BrF2N2O2
Molecular Weight423.26 g/mol
Exact Mass422.04
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESCc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C19H17BrF2N2O2/c1-11-14(15-8-13(20)6-7-16(15)24-11)9-18(25)23-10-12-4-2-3-5-17(12)26-19(21)22/h2-8,19,24H,9-10H2,1H3,(H,23,25)
InChIKeyWDYYHHGGSHPCRP-UHFFFAOYSA-N
XLogP4.70
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24611724
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-pentylacetamide
CID 38767316
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-cycloheptylacetamide
CID 38702160
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 38756441) is 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is WDYYHHGGSHPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N2O2/c1-11-14(15-8-13(20)6-7-16(15)24-11)9-18(25)23-10-12-4-2-3-5-17(12)26-19(21)22/h2-8,19,24H,9-10H2,1H3,(H,23,25).
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 423.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 38756441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).