N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide

C16H16F2N4O3 — CID 170549966

IUPACN-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
SMILESCOc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Cn2ccnc2)c(F)c1
InChIInChI=1S/C16H16F2N4O3/c1-25-9-4-11(17)14(12(18)5-9)10-6-20-16(24)15(10)21-13(23)7-22-3-2-19-8-22/h2-5,8,10,15H,6-7H2,1H3,(H,20,24)(H,21,23)/t10-,15-/m0/s1
InChIKeyVZCBPQCBNSDKGQ-BONVTDFDSA-N
MW350.33 g/mol
LogP0.57
Rot. Bonds5

About N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide

N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide (PubChem CID 170549966) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
PubChem CID170549966
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
SMILESCOc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Cn2ccnc2)c(F)c1
InChIInChI=1S/C16H16F2N4O3/c1-25-9-4-11(17)14(12(18)5-9)10-6-20-16(24)15(10)21-13(23)7-22-3-2-19-8-22/h2-5,8,10,15H,6-7H2,1H3,(H,20,24)(H,21,23)/t10-,15-/m0/s1
InChIKeyVZCBPQCBNSDKGQ-BONVTDFDSA-N
XLogP0.57
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide 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)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide (CID 170549966) is N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide is COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Cn2ccnc2)c(F)c1.
What is the InChIKey of N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The InChIKey is VZCBPQCBNSDKGQ-BONVTDFDSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c1-25-9-4-11(17)14(12(18)5-9)10-6-20-16(24)15(10)21-13(23)7-22-3-2-19-8-22/h2-5,8,10,15H,6-7H2,1H3,(H,20,24)(H,21,23)/t10-,15-/m0/s1.
What are the key properties of N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide has a molecular weight of 350.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 170549966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).