N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide

C28H22FN3O2 — CID 68771734

IUPACN-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2C(=O)N1C(c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C28H22FN3O2/c29-22-14-12-20(13-15-22)25(21-9-6-16-30-18-21)32-26(23-10-4-5-11-24(23)28(32)34)27(33)31-17-19-7-2-1-3-8-19/h1-16,18,25-26H,17H2,(H,31,33)
InChIKeyUKZUIGLWASKMLL-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.82
Rot. Bonds6

About N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide

N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68771734) has the molecular formula C28H22FN3O2 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68771734
Molecular FormulaC28H22FN3O2
Molecular Weight451.50 g/mol
Exact Mass451.17
IUPAC NameN-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2C(=O)N1C(c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C28H22FN3O2/c29-22-14-12-20(13-15-22)25(21-9-6-16-30-18-21)32-26(23-10-4-5-11-24(23)28(32)34)27(33)31-17-19-7-2-1-3-8-19/h1-16,18,25-26H,17H2,(H,31,33)
InChIKeyUKZUIGLWASKMLL-UHFFFAOYSA-N
XLogP4.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide 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

2-[(4-chlorophenyl)-pyridin-4-ylmethyl]-N-[(4-fluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68774108
2-benzhydryl-N-[(2,4-difluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68771404
2-benzhydryl-3-oxo-N-(4,4,4-trifluorobutyl)-1H-isoindole-1-carboxamide
CID 68774032
3-oxo-2-(2-pyridin-3-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544645
2-[2-(4-chlorophenyl)ethyl]-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-1-carboxamide
CID 15996201
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-benzyl-2-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68775114
N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68851424
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
N-[(2-chlorophenyl)methyl]-3-oxo-2-(1-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68772916
(4R)-1-oxo-2-phenyl-N-(pyridin-3-ylmethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51721969
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68771734) is N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide is O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1C(c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is UKZUIGLWASKMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3O2/c29-22-14-12-20(13-15-22)25(21-9-6-16-30-18-21)32-26(23-10-4-5-11-24(23)28(32)34)27(33)31-17-19-7-2-1-3-8-19/h1-16,18,25-26H,17H2,(H,31,33).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide?
N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)-pyridin-3-ylmethyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).