N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide

C23H27ClFN3O4 — CID 155303197

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
SMILESCc1cccc(COCC(=O)NC2(C)CC(C)(NC(=O)COc3ccc(Cl)c(F)c3)C2)n1
InChIInChI=1S/C23H27ClFN3O4/c1-15-5-4-6-16(26-15)10-31-11-20(29)27-22(2)13-23(3,14-22)28-21(30)12-32-17-7-8-18(24)19(25)9-17/h4-9H,10-14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyVNTXBYSRZHPPOP-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.32
Rot. Bonds9

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide (PubChem CID 155303197) has the molecular formula C23H27ClFN3O4 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
PubChem CID155303197
Molecular FormulaC23H27ClFN3O4
Molecular Weight463.94 g/mol
Exact Mass463.17
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
SMILESCc1cccc(COCC(=O)NC2(C)CC(C)(NC(=O)COc3ccc(Cl)c(F)c3)C2)n1
InChIInChI=1S/C23H27ClFN3O4/c1-15-5-4-6-16(26-15)10-31-11-20(29)27-22(2)13-23(3,14-22)28-21(30)12-32-17-7-8-18(24)19(25)9-17/h4-9H,10-14H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyVNTXBYSRZHPPOP-UHFFFAOYSA-N
XLogP3.32
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide 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-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide (CID 155303197) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide is Cc1cccc(COCC(=O)NC2(C)CC(C)(NC(=O)COc3ccc(Cl)c(F)c3)C2)n1.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide?
The InChIKey is VNTXBYSRZHPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4/c1-15-5-4-6-16(26-15)10-31-11-20(29)27-22(2)13-23(3,14-22)28-21(30)12-32-17-7-8-18(24)19(25)9-17/h4-9H,10-14H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide has a molecular weight of 463.94 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide is sourced from PubChem (CID 155303197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).