2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran

C15H11Cl2N3O — CID 86599214

IUPAC2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCC1Cc2cccc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C15H11Cl2N3O/c16-10-4-5-12(14(17)7-10)13-3-1-2-9-6-11(8-19-20-18)21-15(9)13/h1-5,7,11H,6,8H2
InChIKeyOAKLQVLAIMZXHN-UHFFFAOYSA-N
MW320.18 g/mol
LogP5.27
Rot. Bonds3

About 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran

2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran (PubChem CID 86599214) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
PubChem CID86599214
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran
SMILES[N-]=[N+]=NCC1Cc2cccc(-c3ccc(Cl)cc3Cl)c2O1
InChIInChI=1S/C15H11Cl2N3O/c16-10-4-5-12(14(17)7-10)13-3-1-2-9-6-11(8-19-20-18)21-15(9)13/h1-5,7,11H,6,8H2
InChIKeyOAKLQVLAIMZXHN-UHFFFAOYSA-N
XLogP5.27
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.18
LogP ≤ 55.27
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-chlorophenyl)-2,3-dihydro-1-benzofuran
CID 86599204
2-(azidomethyl)-8-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 86638885
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
(2R)-2-(azidomethyl)-8-(2-chlorophenyl)-3,4-dihydro-2H-chromene
CID 86609101
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
2-(azidomethyl)-7-(3-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 86599209
2-(azidomethyl)-7-(5-chloro-2-methylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 86604656
[(2S)-8-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117647
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 68964315
2-(azidomethyl)-7-methoxy-2,3-dihydro-1-benzofuran
CID 86599172
[2-(azidomethyl)-2,3-dihydro-1-benzofuran-7-yl]boronic acid
CID 86236191
(2R)-2-(azidomethyl)-9-(2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepine
CID 86609129

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran (CID 86599214) is 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran is [N-]=[N+]=NCC1Cc2cccc(-c3ccc(Cl)cc3Cl)c2O1.
What is the InChIKey of 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is OAKLQVLAIMZXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-10-4-5-12(14(17)7-10)13-3-1-2-9-6-11(8-19-20-18)21-15(9)13/h1-5,7,11H,6,8H2.
What are the key properties of 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran?
2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 320.18 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 86599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).