2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol

C22H24ClFN4O — CID 71007691

IUPAC2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClFN4O/c1-22(29,14-4-6-15(23)7-5-14)13-28-17-8-10-27-9-2-3-16(27)20(17)21-18(28)12-25-19(11-24)26-21/h4-7,12,16,29H,2-3,8-11,13H2,1H3
InChIKeyNPNHPBQTLRFHRN-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol

2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol (PubChem CID 71007691) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol
PubChem CID71007691
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol
SMILESCC(O)(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClFN4O/c1-22(29,14-4-6-15(23)7-5-14)13-28-17-8-10-27-9-2-3-16(27)20(17)21-18(28)12-25-19(11-24)26-21/h4-7,12,16,29H,2-3,8-11,13H2,1H3
InChIKeyNPNHPBQTLRFHRN-UHFFFAOYSA-N
XLogP4.15
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol 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-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol (CID 71007691) is 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol is CC(O)(Cn1c2c(c3nc(CF)ncc31)C1CCCN1CC2)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol?
The InChIKey is NPNHPBQTLRFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-22(29,14-4-6-15(23)7-5-14)13-28-17-8-10-27-9-2-3-16(27)20(17)21-18(28)12-25-19(11-24)26-21/h4-7,12,16,29H,2-3,8-11,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol?
2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol has a molecular weight of 414.91 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[14-(fluoromethyl)-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl]propan-2-ol is sourced from PubChem (CID 71007691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).