2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran

C15H12ClN3O — CID 86599204

IUPAC2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCC1Cc2cccc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H12ClN3O/c16-14-7-2-1-5-12(14)13-6-3-4-10-8-11(9-18-19-17)20-15(10)13/h1-7,11H,8-9H2
InChIKeyJOSVMSHSOBTJBX-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.62
Rot. Bonds3

About 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran

2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran (PubChem CID 86599204) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
PubChem CID86599204
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCC1Cc2cccc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H12ClN3O/c16-14-7-2-1-5-12(14)13-6-3-4-10-8-11(9-18-19-17)20-15(10)13/h1-7,11H,8-9H2
InChIKeyJOSVMSHSOBTJBX-UHFFFAOYSA-N
XLogP4.62
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599214
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
(2S)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 86638908
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
2-(azidomethyl)-8-(2-chlorophenyl)-4-(cyclopropylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 86638889
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129
7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
CID 69108274
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran (CID 86599204) is 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran is [N-]=[N+]=NCC1Cc2cccc(-c3ccccc3Cl)c2O1.
What is the InChIKey of 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is JOSVMSHSOBTJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-14-7-2-1-5-12(14)13-6-3-4-10-8-11(9-18-19-17)20-15(10)13/h1-7,11H,8-9H2.
What are the key properties of 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 285.73 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).