4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

C26H24ClF2N3O5 — CID 169319435

IUPAC4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCOCCOc1ncccc1N1C[C@@H](c2c(F)cc(OC)cc2F)[C@H](NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H24ClF2N3O5/c1-35-10-11-37-25-21(4-3-9-30-25)32-14-18(22-19(28)12-17(36-2)13-20(22)29)23(26(32)34)31-24(33)15-5-7-16(27)8-6-15/h3-9,12-13,18,23H,10-11,14H2,1-2H3,(H,31,33)/t18-,23-/m0/s1
InChIKeyIHEPRMVJWHDODF-MBSDFSHPSA-N
MW531.94 g/mol
LogP3.98
Rot. Bonds9

About 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319435) has the molecular formula C26H24ClF2N3O5 and a molecular weight of 531.94 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319435
Molecular FormulaC26H24ClF2N3O5
Molecular Weight531.94 g/mol
Exact Mass531.14
IUPAC Name4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCOCCOc1ncccc1N1C[C@@H](c2c(F)cc(OC)cc2F)[C@H](NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H24ClF2N3O5/c1-35-10-11-37-25-21(4-3-9-30-25)32-14-18(22-19(28)12-17(36-2)13-20(22)29)23(26(32)34)31-24(33)15-5-7-16(27)8-6-15/h3-9,12-13,18,23H,10-11,14H2,1-2H3,(H,31,33)/t18-,23-/m0/s1
InChIKeyIHEPRMVJWHDODF-MBSDFSHPSA-N
XLogP3.98
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.94
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (CID 169319435) is 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is COCCOc1ncccc1N1C[C@@H](c2c(F)cc(OC)cc2F)[C@H](NC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is IHEPRMVJWHDODF-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H24ClF2N3O5/c1-35-10-11-37-25-21(4-3-9-30-25)32-14-18(22-19(28)12-17(36-2)13-20(22)29)23(26(32)34)31-24(33)15-5-7-16(27)8-6-15/h3-9,12-13,18,23H,10-11,14H2,1-2H3,(H,31,33)/t18-,23-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?
4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 531.94 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[2-(2-methoxyethoxy)-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).