4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide

C26H23F4N3O5 — CID 169319447

IUPAC4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3ncccc3OC)[C@H]2C)c(F)c1
InChIInChI=1S/C26H23F4N3O5/c1-13-20(21-17(27)11-16(36-2)12-18(21)28)22(25(35)33(13)23-19(37-3)5-4-10-31-23)32-24(34)14-6-8-15(9-7-14)38-26(29)30/h4-13,20,22,26H,1-3H3,(H,32,34)/t13-,20-,22-/m0/s1
InChIKeyKQXPLHBHARHRIJ-JYYJXNPCSA-N
MW533.48 g/mol
LogP4.30
Rot. Bonds8

About 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319447) has the molecular formula C26H23F4N3O5 and a molecular weight of 533.48 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319447
Molecular FormulaC26H23F4N3O5
Molecular Weight533.48 g/mol
Exact Mass533.16
IUPAC Name4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3ncccc3OC)[C@H]2C)c(F)c1
InChIInChI=1S/C26H23F4N3O5/c1-13-20(21-17(27)11-16(36-2)12-18(21)28)22(25(35)33(13)23-19(37-3)5-4-10-31-23)32-24(34)14-6-8-15(9-7-14)38-26(29)30/h4-13,20,22,26H,1-3H3,(H,32,34)/t13-,20-,22-/m0/s1
InChIKeyKQXPLHBHARHRIJ-JYYJXNPCSA-N
XLogP4.30
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-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-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide (CID 169319447) is 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide is COc1cc(F)c([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)C(=O)N(c3ncccc3OC)[C@H]2C)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is KQXPLHBHARHRIJ-JYYJXNPCSA-N. The full InChI is InChI=1S/C26H23F4N3O5/c1-13-20(21-17(27)11-16(36-2)12-18(21)28)22(25(35)33(13)23-19(37-3)5-4-10-31-23)32-24(34)14-6-8-15(9-7-14)38-26(29)30/h4-13,20,22,26H,1-3H3,(H,32,34)/t13-,20-,22-/m0/s1.
What are the key properties of 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide?
4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 533.48 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3S,4S,5S)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)-5-methyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).