3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

C20H20ClFN4O3 — CID 138736739

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C20H20ClFN4O3/c1-12-5-24-13(6-23-12)7-25-18(28)19-9-20(10-19,11-19)26-17(27)8-29-14-2-3-15(21)16(22)4-14/h2-6H,7-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyDLHBAYLATOGQDJ-UHFFFAOYSA-N
MW418.86 g/mol
LogP2.31
Rot. Bonds7

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 138736739) has the molecular formula C20H20ClFN4O3 and a molecular weight of 418.86 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID138736739
Molecular FormulaC20H20ClFN4O3
Molecular Weight418.86 g/mol
Exact Mass418.12
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1
InChIInChI=1S/C20H20ClFN4O3/c1-12-5-24-13(6-23-12)7-25-18(28)19-9-20(10-19,11-19)26-17(27)8-29-14-2-3-15(21)16(22)4-14/h2-6H,7-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyDLHBAYLATOGQDJ-UHFFFAOYSA-N
XLogP2.31
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide 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 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 138736739) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is DLHBAYLATOGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3/c1-12-5-24-13(6-23-12)7-25-18(28)19-9-20(10-19,11-19)26-17(27)8-29-14-2-3-15(21)16(22)4-14/h2-6H,7-11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 418.86 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 138736739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).