N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C23H21F2N3O2 — CID 108561657

IUPACN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H21F2N3O2/c24-17-5-8-20(21(25)15-17)23(30)28-13-9-18(10-14-28)26-22(29)16-3-6-19(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,18H,9-10,13-14H2,(H,26,29)
InChIKeyFPVUMXYFMYBZQZ-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108561657) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108561657
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H21F2N3O2/c24-17-5-8-20(21(25)15-17)23(30)28-13-9-18(10-14-28)26-22(29)16-3-6-19(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,18H,9-10,13-14H2,(H,26,29)
InChIKeyFPVUMXYFMYBZQZ-UHFFFAOYSA-N
XLogP3.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide 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

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108561657) is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is FPVUMXYFMYBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c24-17-5-8-20(21(25)15-17)23(30)28-13-9-18(10-14-28)26-22(29)16-3-6-19(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,18H,9-10,13-14H2,(H,26,29).
What are the key properties of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 409.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108561657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).