N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide

C26H24F3N3O4 — CID 169319379

IUPACN-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2CN(c3cccn(CC(F)F)c3=O)C(=O)[C@H]2NC(=O)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C26H24F3N3O4/c1-15-5-7-16(8-6-15)24(33)30-23-19(18-10-9-17(36-2)12-20(18)27)13-32(26(23)35)21-4-3-11-31(25(21)34)14-22(28)29/h3-12,19,22-23H,13-14H2,1-2H3,(H,30,33)/t19-,23-/m0/s1
InChIKeyXVVHHFMMXUMMNY-CVDCTZTESA-N
MW499.49 g/mol
LogP3.50
Rot. Bonds7

About N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide

N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide (PubChem CID 169319379) has the molecular formula C26H24F3N3O4 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide
PubChem CID169319379
Molecular FormulaC26H24F3N3O4
Molecular Weight499.49 g/mol
Exact Mass499.17
IUPAC NameN-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2CN(c3cccn(CC(F)F)c3=O)C(=O)[C@H]2NC(=O)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C26H24F3N3O4/c1-15-5-7-16(8-6-15)24(33)30-23-19(18-10-9-17(36-2)12-20(18)27)13-32(26(23)35)21-4-3-11-31(25(21)34)14-22(28)29/h3-12,19,22-23H,13-14H2,1-2H3,(H,30,33)/t19-,23-/m0/s1
InChIKeyXVVHHFMMXUMMNY-CVDCTZTESA-N
XLogP3.50
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide 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-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide (CID 169319379) is N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide is COc1ccc([C@@H]2CN(c3cccn(CC(F)F)c3=O)C(=O)[C@H]2NC(=O)c2ccc(C)cc2)c(F)c1.
What is the InChIKey of N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide?
The InChIKey is XVVHHFMMXUMMNY-CVDCTZTESA-N. The full InChI is InChI=1S/C26H24F3N3O4/c1-15-5-7-16(8-6-15)24(33)30-23-19(18-10-9-17(36-2)12-20(18)27)13-32(26(23)35)21-4-3-11-31(25(21)34)14-22(28)29/h3-12,19,22-23H,13-14H2,1-2H3,(H,30,33)/t19-,23-/m0/s1.
What are the key properties of N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide?
N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide has a molecular weight of 499.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 169319379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).