2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran

C18H14ClN3O — CID 154700761

IUPAC2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran
SMILESCc1ccc(C(c2ccccc2)c2cc(Cl)ccc2N=[N+]=[N-])o1
InChIInChI=1S/C18H14ClN3O/c1-12-7-10-17(23-12)18(13-5-3-2-4-6-13)15-11-14(19)8-9-16(15)21-22-20/h2-11,18H,1H3
InChIKeyRPNMGYBBUNYNGA-UHFFFAOYSA-N
MW323.78 g/mol
LogP6.36
Rot. Bonds4

About 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran

2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran (PubChem CID 154700761) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran
PubChem CID154700761
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran
SMILESCc1ccc(C(c2ccccc2)c2cc(Cl)ccc2N=[N+]=[N-])o1
InChIInChI=1S/C18H14ClN3O/c1-12-7-10-17(23-12)18(13-5-3-2-4-6-13)15-11-14(19)8-9-16(15)21-22-20/h2-11,18H,1H3
InChIKeyRPNMGYBBUNYNGA-UHFFFAOYSA-N
XLogP6.36
TPSA61.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 56.36
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran?
The IUPAC name of 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran (CID 154700761) is 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran.
What is the SMILES notation for 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran?
The canonical SMILES for 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran is Cc1ccc(C(c2ccccc2)c2cc(Cl)ccc2N=[N+]=[N-])o1.
What is the InChIKey of 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran?
The InChIKey is RPNMGYBBUNYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-12-7-10-17(23-12)18(13-5-3-2-4-6-13)15-11-14(19)8-9-16(15)21-22-20/h2-11,18H,1H3.
What are the key properties of 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran?
2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran has a molecular weight of 323.78 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azido-5-chlorophenyl)-phenylmethyl]-5-methylfuran is sourced from PubChem (CID 154700761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).