N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide

C38H27FN4O — CID 71062121

IUPACN-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2ccc3cccn3c2)c(-c2ccc3cccn3c2)c1-c1ccc2cccn2c1
InChIInChI=1S/C38H27FN4O/c39-30-12-7-26(8-13-30)22-40-38(44)35-18-17-34(27-9-14-31-4-1-19-41(31)23-27)36(28-10-15-32-5-2-20-42(32)24-28)37(35)29-11-16-33-6-3-21-43(33)25-29/h1-21,23-25H,22H2,(H,40,44)
InChIKeyZWEPHPJTNXOHIZ-UHFFFAOYSA-N
MW574.66 g/mol
LogP8.51
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide

N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide (PubChem CID 71062121) has the molecular formula C38H27FN4O and a molecular weight of 574.66 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide
PubChem CID71062121
Molecular FormulaC38H27FN4O
Molecular Weight574.66 g/mol
Exact Mass574.22
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(-c2ccc3cccn3c2)c(-c2ccc3cccn3c2)c1-c1ccc2cccn2c1
InChIInChI=1S/C38H27FN4O/c39-30-12-7-26(8-13-30)22-40-38(44)35-18-17-34(27-9-14-31-4-1-19-41(31)23-27)36(28-10-15-32-5-2-20-42(32)24-28)37(35)29-11-16-33-6-3-21-43(33)25-29/h1-21,23-25H,22H2,(H,40,44)
InChIKeyZWEPHPJTNXOHIZ-UHFFFAOYSA-N
XLogP8.51
TPSA42.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide (CID 71062121) is N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide is O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc3cccn3c2)c(-c2ccc3cccn3c2)c1-c1ccc2cccn2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide?
The InChIKey is ZWEPHPJTNXOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27FN4O/c39-30-12-7-26(8-13-30)22-40-38(44)35-18-17-34(27-9-14-31-4-1-19-41(31)23-27)36(28-10-15-32-5-2-20-42(32)24-28)37(35)29-11-16-33-6-3-21-43(33)25-29/h1-21,23-25H,22H2,(H,40,44).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide?
N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide has a molecular weight of 574.66 g/mol, XLogP of 8.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3,4-tri(indolizin-6-yl)benzamide is sourced from PubChem (CID 71062121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).