5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

C18H14BrF2NO3 — CID 24611724

IUPAC5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2OC(F)F)oc2ccc(Br)cc12
InChIInChI=1S/C18H14BrF2NO3/c1-10-13-8-12(19)6-7-15(13)24-16(10)17(23)22-9-11-4-2-3-5-14(11)25-18(20)21/h2-8,18H,9H2,1H3,(H,22,23)
InChIKeyOSNIFQXVECLRLU-UHFFFAOYSA-N
MW410.21 g/mol
LogP5.04
Rot. Bonds5

About 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24611724) has the molecular formula C18H14BrF2NO3 and a molecular weight of 410.21 g/mol. Its IUPAC name is 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24611724
Molecular FormulaC18H14BrF2NO3
Molecular Weight410.21 g/mol
Exact Mass409.01
IUPAC Name5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2OC(F)F)oc2ccc(Br)cc12
InChIInChI=1S/C18H14BrF2NO3/c1-10-13-8-12(19)6-7-15(13)24-16(10)17(23)22-9-11-4-2-3-5-14(11)25-18(20)21/h2-8,18H,9H2,1H3,(H,22,23)
InChIKeyOSNIFQXVECLRLU-UHFFFAOYSA-N
XLogP5.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.21
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
N-[2-(difluoromethoxy)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2667604
5-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9119619
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
5-bromo-3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 60557641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 24611724) is 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2OC(F)F)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OSNIFQXVECLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2NO3/c1-10-13-8-12(19)6-7-15(13)24-16(10)17(23)22-9-11-4-2-3-5-14(11)25-18(20)21/h2-8,18H,9H2,1H3,(H,22,23).
What are the key properties of 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 410.21 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24611724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).