N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C17H16BrNO2 — CID 114315591

IUPACN-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H16BrNO2/c1-11(18)15-4-2-3-5-16(15)19-17(20)12-6-7-13-9-21-10-14(13)8-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyFAZJMZBOIDTYFM-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.43
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 114315591) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID114315591
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C17H16BrNO2/c1-11(18)15-4-2-3-5-16(15)19-17(20)12-6-7-13-9-21-10-14(13)8-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyFAZJMZBOIDTYFM-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
CID 114315425
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 114315591) is N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(Br)c1ccccc1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is FAZJMZBOIDTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-11(18)15-4-2-3-5-16(15)19-17(20)12-6-7-13-9-21-10-14(13)8-12/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 346.22 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 114315591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).