2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

C23H23FN4O3 — CID 46467325

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H23FN4O3/c24-19-9-7-17(8-10-19)13-27-23(30)28-15-22(29)26-14-18-4-3-6-21(12-18)31-16-20-5-1-2-11-25-20/h1-12H,13-16H2,(H,26,29)(H2,27,28,30)
InChIKeyFLTWPMURYKOCAP-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.92
Rot. Bonds9

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 46467325) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID46467325
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C23H23FN4O3/c24-19-9-7-17(8-10-19)13-27-23(30)28-15-22(29)26-14-18-4-3-6-21(12-18)31-16-20-5-1-2-11-25-20/h1-12H,13-16H2,(H,26,29)(H2,27,28,30)
InChIKeyFLTWPMURYKOCAP-UHFFFAOYSA-N
XLogP2.92
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide 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

2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55709444
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 46467325) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is FLTWPMURYKOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-19-9-7-17(8-10-19)13-27-23(30)28-15-22(29)26-14-18-4-3-6-21(12-18)31-16-20-5-1-2-11-25-20/h1-12H,13-16H2,(H,26,29)(H2,27,28,30).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 46467325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).