N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide

C19H17BrN2O3 — CID 42960778

IUPACN-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C19H17BrN2O3/c1-11(13-5-3-7-15(9-13)22-12(2)23)21-19(24)17-10-14-6-4-8-16(20)18(14)25-17/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyXFHQNIJHFBRYSF-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.64
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 42960778) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
PubChem CID42960778
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C19H17BrN2O3/c1-11(13-5-3-7-15(9-13)22-12(2)23)21-19(24)17-10-14-6-4-8-16(20)18(14)25-17/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyXFHQNIJHFBRYSF-UHFFFAOYSA-N
XLogP4.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-nitrofuran-2-carboxamide
CID 37468714
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide (CID 42960778) is N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc3cccc(Br)c3o2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is XFHQNIJHFBRYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-11(13-5-3-7-15(9-13)22-12(2)23)21-19(24)17-10-14-6-4-8-16(20)18(14)25-17/h3-11H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42960778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).