N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide

C28H28FN3O3 — CID 10205626

IUPACN-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(OCC(O)CN3CCc4[nH]c5ccc(F)cc5c4C3)cc2)c1
InChIInChI=1S/C28H28FN3O3/c1-18(33)30-22-4-2-3-20(13-22)19-5-8-24(9-6-19)35-17-23(34)15-32-12-11-28-26(16-32)25-14-21(29)7-10-27(25)31-28/h2-10,13-14,23,31,34H,11-12,15-17H2,1H3,(H,30,33)
InChIKeyIZZMNUXWLZSYCA-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.73
Rot. Bonds7

About N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide

N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide (PubChem CID 10205626) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide
PubChem CID10205626
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(OCC(O)CN3CCc4[nH]c5ccc(F)cc5c4C3)cc2)c1
InChIInChI=1S/C28H28FN3O3/c1-18(33)30-22-4-2-3-20(13-22)19-5-8-24(9-6-19)35-17-23(34)15-32-12-11-28-26(16-32)25-14-21(29)7-10-27(25)31-28/h2-10,13-14,23,31,34H,11-12,15-17H2,1H3,(H,30,33)
InChIKeyIZZMNUXWLZSYCA-UHFFFAOYSA-N
XLogP4.73
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]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 N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide (CID 10205626) is N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(OCC(O)CN3CCc4[nH]c5ccc(F)cc5c4C3)cc2)c1.
What is the InChIKey of N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide?
The InChIKey is IZZMNUXWLZSYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c1-18(33)30-22-4-2-3-20(13-22)19-5-8-24(9-6-19)35-17-23(34)15-32-12-11-28-26(16-32)25-14-21(29)7-10-27(25)31-28/h2-10,13-14,23,31,34H,11-12,15-17H2,1H3,(H,30,33).
What are the key properties of N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide?
N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-hydroxypropoxy]phenyl]phenyl]acetamide is sourced from PubChem (CID 10205626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).