2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide

C15H15ClFN3O2 — CID 86778558

IUPAC2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CNc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C15H15ClFN3O2/c1-18-14(21)9-22-12-4-2-10(3-5-12)7-19-15-13(17)6-11(16)8-20-15/h2-6,8H,7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNLROQRCXNYETKU-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide

2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide (PubChem CID 86778558) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
PubChem CID86778558
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.76 g/mol
Exact Mass323.08
IUPAC Name2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CNc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C15H15ClFN3O2/c1-18-14(21)9-22-12-4-2-10(3-5-12)7-19-15-13(17)6-11(16)8-20-15/h2-6,8H,7,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNLROQRCXNYETKU-UHFFFAOYSA-N
XLogP2.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide 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

4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
CID 113252113
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]benzonitrile
CID 79727723
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide
CID 70706605
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
2-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 70186989
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide (CID 86778558) is 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CNc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide?
The InChIKey is NLROQRCXNYETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-18-14(21)9-22-12-4-2-10(3-5-12)7-19-15-13(17)6-11(16)8-20-15/h2-6,8H,7,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide?
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide has a molecular weight of 323.76 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 86778558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).