N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide

C20H15ClFN3O — CID 140748059

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1F)C1=CN2C=C3C=CC=CN3C=C2C=C1
InChIInChI=1S/C20H15ClFN3O/c21-18-6-3-4-14(19(18)22)10-23-20(26)15-7-8-17-12-24-9-2-1-5-16(24)13-25(17)11-15/h1-9,11-13H,10H2,(H,23,26)
InChIKeyNCXFPLMORMXLNW-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.93
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide

N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide (PubChem CID 140748059) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide
PubChem CID140748059
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1F)C1=CN2C=C3C=CC=CN3C=C2C=C1
InChIInChI=1S/C20H15ClFN3O/c21-18-6-3-4-14(19(18)22)10-23-20(26)15-7-8-17-12-24-9-2-1-5-16(24)13-25(17)11-15/h1-9,11-13H,10H2,(H,23,26)
InChIKeyNCXFPLMORMXLNW-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide (CID 140748059) is N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide is O=C(NCc1cccc(Cl)c1F)C1=CN2C=C3C=CC=CN3C=C2C=C1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide?
The InChIKey is NCXFPLMORMXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-18-6-3-4-14(19(18)22)10-23-20(26)15-7-8-17-12-24-9-2-1-5-16(24)13-25(17)11-15/h1-9,11-13H,10H2,(H,23,26).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide?
N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene-6-carboxamide is sourced from PubChem (CID 140748059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).