4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide

C21H16FN3O2 — CID 158659156

IUPAC4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide
SMILESO=C(Nc1cc2cccc(C(=O)CC3=NC=CC3)c2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c22-15-8-6-13(7-9-15)21(27)25-19-11-14-3-1-5-17(20(14)24-19)18(26)12-16-4-2-10-23-16/h1-3,5-11,24H,4,12H2,(H,25,27)
InChIKeyICNMYDMOBGFTQZ-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.49
Rot. Bonds5

About 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide

4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide (PubChem CID 158659156) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide
PubChem CID158659156
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide
SMILESO=C(Nc1cc2cccc(C(=O)CC3=NC=CC3)c2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c22-15-8-6-13(7-9-15)21(27)25-19-11-14-3-1-5-17(20(14)24-19)18(26)12-16-4-2-10-23-16/h1-3,5-11,24H,4,12H2,(H,25,27)
InChIKeyICNMYDMOBGFTQZ-UHFFFAOYSA-N
XLogP4.49
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-(butylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582564
1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582570
1-(cyclopentylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582643
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-1H-quinazolin-4-one
CID 135519192
rac-7-methyl-2-(2-(phenylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783256
2-(2-Anilino-3-methylquinolin-8-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783423
2-(2-Anilino-7-fluoroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783478
2-(2-((2,6-difluorophenyl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783989
rac-7-ethyl-2-(2-(phenylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89784140
2-[2-[[(1R,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89784272
(7S)-2-(2-anilinoquinolin-8-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89793597

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide (CID 158659156) is 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide is O=C(Nc1cc2cccc(C(=O)CC3=NC=CC3)c2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide?
The InChIKey is ICNMYDMOBGFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-15-8-6-13(7-9-15)21(27)25-19-11-14-3-1-5-17(20(14)24-19)18(26)12-16-4-2-10-23-16/h1-3,5-11,24H,4,12H2,(H,25,27).
What are the key properties of 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide?
4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide has a molecular weight of 361.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[7-[2-(3H-pyrrol-2-yl)acetyl]-1H-indol-2-yl]benzamide is sourced from PubChem (CID 158659156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).