3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide

C19H17BrF2N2O3 — CID 55911154

IUPAC3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2Br)cc1OC(F)F
InChIInChI=1S/C19H17BrF2N2O3/c1-24(10-11-7-8-14(26-2)15(9-11)27-19(21)22)18(25)17-16(20)12-5-3-4-6-13(12)23-17/h3-9,19,23H,10H2,1-2H3
InChIKeyOEFSPXYQOICMCD-UHFFFAOYSA-N
MW439.26 g/mol
LogP4.81
Rot. Bonds6

About 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide

3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 55911154) has the molecular formula C19H17BrF2N2O3 and a molecular weight of 439.26 g/mol. Its IUPAC name is 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID55911154
Molecular FormulaC19H17BrF2N2O3
Molecular Weight439.26 g/mol
Exact Mass438.04
IUPAC Name3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2Br)cc1OC(F)F
InChIInChI=1S/C19H17BrF2N2O3/c1-24(10-11-7-8-14(26-2)15(9-11)27-19(21)22)18(25)17-16(20)12-5-3-4-6-13(12)23-17/h3-9,19,23H,10H2,1-2H3
InChIKeyOEFSPXYQOICMCD-UHFFFAOYSA-N
XLogP4.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate
CID 55704470
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55754801
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-4-nitrobenzamide
CID 55612063
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 38326031
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
CID 51128772
N-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55619064
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 2452418
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 43017176
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,5-dimethyl-1H-indol-3-yl)-N-methylacetamide
CID 31884295

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide (CID 55911154) is 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide is COc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2Br)cc1OC(F)F.
What is the InChIKey of 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is OEFSPXYQOICMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N2O3/c1-24(10-11-7-8-14(26-2)15(9-11)27-19(21)22)18(25)17-16(20)12-5-3-4-6-13(12)23-17/h3-9,19,23H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide?
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 439.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55911154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).