2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide

C19H14ClFN4O2 — CID 57344526

IUPAC2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide
SMILESCc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
InChIInChI=1S/C19H14ClFN4O2/c1-9-15-12-6-7-23-19(21)16(12)17(10-2-4-11(20)5-3-10)24-13(8-14(22)26)18(15)27-25-9/h2-7,13H,8H2,1H3,(H2,22,26)/t13-/m0/s1
InChIKeyUJXRGBGWNLADJX-ZDUSSCGKSA-N
MW384.80 g/mol
LogP3.61
Rot. Bonds3

About 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide

2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide (PubChem CID 57344526) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide.

Molecular Properties

Compound Name2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide
PubChem CID57344526
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide
SMILESCc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
InChIInChI=1S/C19H14ClFN4O2/c1-9-15-12-6-7-23-19(21)16(12)17(10-2-4-11(20)5-3-10)24-13(8-14(22)26)18(15)27-25-9/h2-7,13H,8H2,1H3,(H2,22,26)/t13-/m0/s1
InChIKeyUJXRGBGWNLADJX-ZDUSSCGKSA-N
XLogP3.61
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide 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-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide?
The IUPAC name of 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide (CID 57344526) is 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide.
What is the SMILES notation for 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide?
The canonical SMILES for 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide is Cc1noc2c1-c1ccnc(F)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O.
What is the InChIKey of 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide?
The InChIKey is UJXRGBGWNLADJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-9-15-12-6-7-23-19(21)16(12)17(10-2-4-11(20)5-3-10)24-13(8-14(22)26)18(15)27-25-9/h2-7,13H,8H2,1H3,(H2,22,26)/t13-/m0/s1.
What are the key properties of 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide?
2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide has a molecular weight of 384.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-9-(4-chlorophenyl)-11-fluoro-3-methyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide is sourced from PubChem (CID 57344526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).