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

C25H21ClF3N3O3 — CID 166933944

IUPAC4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3nc(C)ccc3F)C(=O)C2CNC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C25H21ClF3N3O3/c1-13-3-8-19(27)23(31-13)32-12-18(22-20(28)9-16(35-2)10-21(22)29)17(25(32)34)11-30-24(33)14-4-6-15(26)7-5-14/h3-10,17-18H,11-12H2,1-2H3,(H,30,33)/t17?,18-/m1/s1
InChIKeyXKLJHBWTUMCRRY-QRWMCTBCSA-N
MW503.91 g/mol
LogP4.65
Rot. Bonds6

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

4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 166933944) has the molecular formula C25H21ClF3N3O3 and a molecular weight of 503.91 g/mol. Its IUPAC name is 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID166933944
Molecular FormulaC25H21ClF3N3O3
Molecular Weight503.91 g/mol
Exact Mass503.12
IUPAC Name4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3nc(C)ccc3F)C(=O)C2CNC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C25H21ClF3N3O3/c1-13-3-8-19(27)23(31-13)32-12-18(22-20(28)9-16(35-2)10-21(22)29)17(25(32)34)11-30-24(33)14-4-6-15(26)7-5-14/h3-10,17-18H,11-12H2,1-2H3,(H,30,33)/t17?,18-/m1/s1
InChIKeyXKLJHBWTUMCRRY-QRWMCTBCSA-N
XLogP4.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.91
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-(6-(3-chloro-4-fluorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24830388
N-(2-(6-(4-chlorobenzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 44573750
1-(5-chloro-2-pyridinyl)-3-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122582903
US20230348426, Example 42
CID 169319013
US20230348426, Example 39
CID 169319132
US20230348426, Example 528
CID 169319236
US20230348426, Example 718
CID 169319364
US20230348426, Example 46
CID 169319413
US20230348426, Example 43
CID 169319472
US20230348426, Example 40
CID 169319496
4-{1-[(4-Chlorophenyl)carbonyl]piperidin-4-yl}-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275719
3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-(4-methoxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
CID 44406077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide (CID 166933944) is 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide is COc1cc(F)c([C@@H]2CN(c3nc(C)ccc3F)C(=O)C2CNC(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is XKLJHBWTUMCRRY-QRWMCTBCSA-N. The full InChI is InChI=1S/C25H21ClF3N3O3/c1-13-3-8-19(27)23(31-13)32-12-18(22-20(28)9-16(35-2)10-21(22)29)17(25(32)34)11-30-24(33)14-4-6-15(26)7-5-14/h3-10,17-18H,11-12H2,1-2H3,(H,30,33)/t17?,18-/m1/s1.
What are the key properties of 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide?
4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 503.91 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-6-methyl-2-pyridinyl)-2-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 166933944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).