5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

C21H21BrN2O3 — CID 154877401

IUPAC5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCc1cccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2CC)c1
InChIInChI=1S/C21H21BrN2O3/c1-3-13-6-5-7-15(10-13)24-19(25)12-23-21(26)20-16(4-2)17-11-14(22)8-9-18(17)27-20/h5-11H,3-4,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVHOLHVPZNOZLQU-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.69
Rot. Bonds6

About 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 154877401) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID154877401
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC Name5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCc1cccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2CC)c1
InChIInChI=1S/C21H21BrN2O3/c1-3-13-6-5-7-15(10-13)24-19(25)12-23-21(26)20-16(4-2)17-11-14(22)8-9-18(17)27-20/h5-11H,3-4,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVHOLHVPZNOZLQU-UHFFFAOYSA-N
XLogP4.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155942919
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2595674
5-bromo-3-methyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852717
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 154877401) is 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is CCc1cccc(NC(=O)CNC(=O)c2oc3ccc(Br)cc3c2CC)c1.
What is the InChIKey of 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VHOLHVPZNOZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-3-13-6-5-7-15(10-13)24-19(25)12-23-21(26)20-16(4-2)17-11-14(22)8-9-18(17)27-20/h5-11H,3-4,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-N-[2-(3-ethylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154877401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).