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

C24H19Cl2F2N3O4 — CID 169319048

IUPAC4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3c(Cl)ccn(C)c3=O)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H19Cl2F2N3O4/c1-30-8-7-16(26)21(24(30)34)31-11-15(19-17(27)9-14(35-2)10-18(19)28)20(23(31)33)29-22(32)12-3-5-13(25)6-4-12/h3-10,15,20H,11H2,1-2H3,(H,29,32)/t15-,20-/m0/s1
InChIKeyYLYPZXRJWONVHG-YWZLYKJASA-N
MW522.34 g/mol
LogP3.91
Rot. Bonds5

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

4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319048) has the molecular formula C24H19Cl2F2N3O4 and a molecular weight of 522.34 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319048
Molecular FormulaC24H19Cl2F2N3O4
Molecular Weight522.34 g/mol
Exact Mass521.07
IUPAC Name4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3c(Cl)ccn(C)c3=O)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H19Cl2F2N3O4/c1-30-8-7-16(26)21(24(30)34)31-11-15(19-17(27)9-14(35-2)10-18(19)28)20(23(31)33)29-22(32)12-3-5-13(25)6-4-12/h3-10,15,20H,11H2,1-2H3,(H,29,32)/t15-,20-/m0/s1
InChIKeyYLYPZXRJWONVHG-YWZLYKJASA-N
XLogP3.91
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
CID 162437378
4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(difluoromethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319206
4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]benzamide
CID 169319068
4-chloro-N-[(3S,4R)-1-[1-(2-cyclopropyl-2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169491229
4-chloro-N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-6-oxopyrimidin-5-yl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169319110
4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319266
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319281
4-chloro-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[3-methoxy-6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
CID 169319135
N-[(4R)-1-[1-(1,1-difluoro-2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933783
N-[(3S,4R)-1-(1-cyclobutyl-4-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319199
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 169319085
4-chloro-N-[(3S,4R)-1-[3-cyano-4-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169490331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (CID 169319048) is 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is COc1cc(F)c([C@@H]2CN(c3c(Cl)ccn(C)c3=O)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is YLYPZXRJWONVHG-YWZLYKJASA-N. The full InChI is InChI=1S/C24H19Cl2F2N3O4/c1-30-8-7-16(26)21(24(30)34)31-11-15(19-17(27)9-14(35-2)10-18(19)28)20(23(31)33)29-22(32)12-3-5-13(25)6-4-12/h3-10,15,20H,11H2,1-2H3,(H,29,32)/t15-,20-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 522.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).