N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide

C17H14BrNO2 — CID 112529204

IUPACN-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)21-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyXDOHKIVRGZDTIM-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.17
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 112529204) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID112529204
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC NameN-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)21-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyXDOHKIVRGZDTIM-UHFFFAOYSA-N
XLogP4.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
6-bromo-N-[2-(2-chlorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529403
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
N-[(4S)-4-(1-benzofuran-2-carbonylamino)-5-oxo-5-(2-phenylethylamino)pentyl]-1-benzofuran-2-carboxamide
CID 141117128
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide (CID 112529204) is N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCc1ccc(Br)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is XDOHKIVRGZDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)21-16/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).