5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide

C14H14BrF2NO3 — CID 107482857

IUPAC5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)CC(F)F)oc2ccc(Br)cc12
InChIInChI=1S/C14H14BrF2NO3/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(20)18(4-5-19)7-12(16)17/h2-3,6,12,19H,4-5,7H2,1H3
InChIKeyZCSLNBBOYOBYAA-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.20
Rot. Bonds5

About 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 107482857) has the molecular formula C14H14BrF2NO3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID107482857
Molecular FormulaC14H14BrF2NO3
Molecular Weight362.17 g/mol
Exact Mass361.01
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)CC(F)F)oc2ccc(Br)cc12
InChIInChI=1S/C14H14BrF2NO3/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(20)18(4-5-19)7-12(16)17/h2-3,6,12,19H,4-5,7H2,1H3
InChIKeyZCSLNBBOYOBYAA-UHFFFAOYSA-N
XLogP3.20
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-ethylamino]acetate
CID 78901773
N-(1-aminopropan-2-yl)-5-bromo-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 119582014
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 39947725
5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
CID 18190752
(5-bromo-3-methyl-1-benzofuran-2-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403347
5-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103767302
(2S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822156
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482645
5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 79246940
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115771204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 107482857) is 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CCO)CC(F)F)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZCSLNBBOYOBYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO3/c1-8-10-6-9(15)2-3-11(10)21-13(8)14(20)18(4-5-19)7-12(16)17/h2-3,6,12,19H,4-5,7H2,1H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 362.17 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107482857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).