3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

C17H13BrN2O4 — CID 17409563

IUPAC3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2O4/c18-10-4-3-5-11(8-10)23-9-14(21)20-15-12-6-1-2-7-13(12)24-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21)
InChIKeyWLCFJMCWVONTAH-UHFFFAOYSA-N
MW389.21 g/mol
LogP3.31
Rot. Bonds5

About 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 17409563) has the molecular formula C17H13BrN2O4 and a molecular weight of 389.21 g/mol. Its IUPAC name is 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID17409563
Molecular FormulaC17H13BrN2O4
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C17H13BrN2O4/c18-10-4-3-5-11(8-10)23-9-14(21)20-15-12-6-1-2-7-13(12)24-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21)
InChIKeyWLCFJMCWVONTAH-UHFFFAOYSA-N
XLogP3.31
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(3-nitrophenoxy)acetamide
CID 3445964
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 17409563) is 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(Br)c1.
What is the InChIKey of 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is WLCFJMCWVONTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4/c18-10-4-3-5-11(8-10)23-9-14(21)20-15-12-6-1-2-7-13(12)24-16(15)17(19)22/h1-8H,9H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17409563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).