5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide

C18H16BrNO2 — CID 18190752

IUPAC5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2ccc(Br)cc2c1C)c1ccccc1
InChIInChI=1S/C18H16BrNO2/c1-3-20(14-7-5-4-6-8-14)18(21)17-12(2)15-11-13(19)9-10-16(15)22-17/h4-11H,3H2,1-2H3
InChIKeyRWJLLRUIGNIDRT-UHFFFAOYSA-N
MW358.24 g/mol
LogP5.17
Rot. Bonds3

About 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide

5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 18190752) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID18190752
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2ccc(Br)cc2c1C)c1ccccc1
InChIInChI=1S/C18H16BrNO2/c1-3-20(14-7-5-4-6-8-14)18(21)17-12(2)15-11-13(19)9-10-16(15)22-17/h4-11H,3H2,1-2H3
InChIKeyRWJLLRUIGNIDRT-UHFFFAOYSA-N
XLogP5.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 27104969
N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 33005199
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 39947725
ethyl 2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-ethylamino]acetate
CID 78901773
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
N-(1-aminopropan-2-yl)-5-bromo-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 119582014
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-bromophenyl)methanone
CID 28880631
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71888966
5-bromo-3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-1-benzofuran-2-carboxamide
CID 4595705
5-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9119619
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 107482857
5-bromo-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 64510108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide (CID 18190752) is 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide is CCN(C(=O)c1oc2ccc(Br)cc2c1C)c1ccccc1.
What is the InChIKey of 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is RWJLLRUIGNIDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-3-20(14-7-5-4-6-8-14)18(21)17-12(2)15-11-13(19)9-10-16(15)22-17/h4-11H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide?
5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18190752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).