N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide

C19H18BrNO3 — CID 166213010

IUPACN-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1Br)NCc1ccc2ccoc2c1
InChIInChI=1S/C19H18BrNO3/c20-16-4-1-2-5-17(16)23-10-3-6-19(22)21-13-14-7-8-15-9-11-24-18(15)12-14/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,21,22)
InChIKeyAPZSXHNVFHGPPG-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.67
Rot. Bonds7

About N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide

N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide (PubChem CID 166213010) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide
PubChem CID166213010
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide
SMILESO=C(CCCOc1ccccc1Br)NCc1ccc2ccoc2c1
InChIInChI=1S/C19H18BrNO3/c20-16-4-1-2-5-17(16)23-10-3-6-19(22)21-13-14-7-8-15-9-11-24-18(15)12-14/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,21,22)
InChIKeyAPZSXHNVFHGPPG-UHFFFAOYSA-N
XLogP4.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
4-(2-bromophenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 47040146
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
4-(2-bromophenoxy)-N-(cyclobutylmethyl)butanamide
CID 47041102
N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
CID 166213000
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
CID 39228981
4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 78879460

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide?
The IUPAC name of N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide (CID 166213010) is N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide.
What is the SMILES notation for N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide?
The canonical SMILES for N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide is O=C(CCCOc1ccccc1Br)NCc1ccc2ccoc2c1.
What is the InChIKey of N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide?
The InChIKey is APZSXHNVFHGPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c20-16-4-1-2-5-17(16)23-10-3-6-19(22)21-13-14-7-8-15-9-11-24-18(15)12-14/h1-2,4-5,7-9,11-12H,3,6,10,13H2,(H,21,22).
What are the key properties of N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide?
N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide has a molecular weight of 388.26 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-6-ylmethyl)-4-(2-bromophenoxy)butanamide is sourced from PubChem (CID 166213010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).