2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide

C25H16F4N2O3 — CID 46101105

IUPAC2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide
SMILESCOc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C25H16F4N2O3/c1-33-15-7-9-16-13(10-15)4-8-17-23(16)31-34-24(17)12-2-5-14(6-3-12)30-25(32)18-11-19(26)21(28)22(29)20(18)27/h2-3,5-7,9-11H,4,8H2,1H3,(H,30,32)
InChIKeyKYXIHVUXMWPZIU-UHFFFAOYSA-N
MW468.41 g/mol
LogP5.92
Rot. Bonds4

About 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide

2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide (PubChem CID 46101105) has the molecular formula C25H16F4N2O3 and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide
PubChem CID46101105
Molecular FormulaC25H16F4N2O3
Molecular Weight468.41 g/mol
Exact Mass468.11
IUPAC Name2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide
SMILESCOc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C25H16F4N2O3/c1-33-15-7-9-16-13(10-15)4-8-17-23(16)31-34-24(17)12-2-5-14(6-3-12)30-25(32)18-11-19(26)21(28)22(29)20(18)27/h2-3,5-7,9-11H,4,8H2,1H3,(H,30,32)
InChIKeyKYXIHVUXMWPZIU-UHFFFAOYSA-N
XLogP5.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide (CID 46101105) is 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide is COc1ccc2c(c1)CCc1c-2noc1-c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide?
The InChIKey is KYXIHVUXMWPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N2O3/c1-33-15-7-9-16-13(10-15)4-8-17-23(16)31-34-24(17)12-2-5-14(6-3-12)30-25(32)18-11-19(26)21(28)22(29)20(18)27/h2-3,5-7,9-11H,4,8H2,1H3,(H,30,32).
What are the key properties of 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide has a molecular weight of 468.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[4-(7-methoxy-4,5-dihydrobenzo[g][2,1]benzoxazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 46101105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).