Skip to content

N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide

C21H15ClF4N4O2 — CID 162746788

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32)
InChIKeyIQLFPWBLSQOHTE-UHFFFAOYSA-N
MW466.82 g/mol
LogP5.15
Rot. Bonds5

About N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide

N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 162746788) has the molecular formula C21H15ClF4N4O2 and a molecular weight of 466.82 g/mol. Its IUPAC name is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID162746788
Molecular FormulaC21H15ClF4N4O2
Molecular Weight466.82 g/mol
Exact Mass466.08
IUPAC NameN-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F
InChIInChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32)
InChIKeyIQLFPWBLSQOHTE-UHFFFAOYSA-N
XLogP5.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]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-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 162746788) is N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide is CC(=O)N(c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2Cl)ccn1)c1ccncc1F.
What is the InChIKey of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IQLFPWBLSQOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O2/c1-12(31)30(17-6-7-27-11-16(17)23)18-10-14(5-8-28-18)29-19(32)9-13-3-2-4-15(20(13)22)21(24,25)26/h2-8,10-11H,9H2,1H3,(H,28,29,32).
What are the key properties of N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide?
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 466.82 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162746788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.