N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide

C21H17ClFN3O2 — CID 143062235

IUPACN-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
SMILESC=Cc1c(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2F)ccnc1N
InChIInChI=1S/C21H17ClFN3O2/c1-2-16-18(9-10-25-21(16)24)28-19-8-7-15(12-17(19)23)26-20(27)11-13-3-5-14(22)6-4-13/h2-10,12H,1,11H2,(H2,24,25)(H,26,27)
InChIKeyKOZNAJDLSPYIDT-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide

N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 143062235) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
PubChem CID143062235
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC NameN-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
SMILESC=Cc1c(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2F)ccnc1N
InChIInChI=1S/C21H17ClFN3O2/c1-2-16-18(9-10-25-21(16)24)28-19-8-7-15(12-17(19)23)26-20(27)11-13-3-5-14(22)6-4-13/h2-10,12H,1,11H2,(H2,24,25)(H,26,27)
InChIKeyKOZNAJDLSPYIDT-UHFFFAOYSA-N
XLogP5.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.84
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)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-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
CID 167269576
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
CID 123915427
N-(5-amino-6-fluoro-3-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 172553032
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
CID 90338904
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide;oxamide
CID 69052259

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide (CID 143062235) is N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide is C=Cc1c(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2F)ccnc1N.
What is the InChIKey of N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is KOZNAJDLSPYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-2-16-18(9-10-25-21(16)24)28-19-8-7-15(12-17(19)23)26-20(27)11-13-3-5-14(22)6-4-13/h2-10,12H,1,11H2,(H2,24,25)(H,26,27).
What are the key properties of N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide?
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 397.84 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 143062235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).