4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide

C20H17FN4O2 — CID 38310248

IUPAC4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)CNC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H17FN4O2/c1-13-22-10-9-18(24-13)15-3-2-4-17(11-15)25-19(26)12-23-20(27)14-5-7-16(21)8-6-14/h2-11H,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyFDJONBZUAMFJLQ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.96
Rot. Bonds5

About 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 38310248) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
PubChem CID38310248
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1nccc(-c2cccc(NC(=O)CNC(=O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C20H17FN4O2/c1-13-22-10-9-18(24-13)15-3-2-4-17(11-15)25-19(26)12-23-20(27)14-5-7-16(21)8-6-14/h2-11H,12H2,1H3,(H,23,27)(H,25,26)
InChIKeyFDJONBZUAMFJLQ-UHFFFAOYSA-N
XLogP2.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide 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-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259977
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
CID 51113892
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 43074585
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide (CID 38310248) is 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide is Cc1nccc(-c2cccc(NC(=O)CNC(=O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is FDJONBZUAMFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-22-10-9-18(24-13)15-3-2-4-17(11-15)25-19(26)12-23-20(27)14-5-7-16(21)8-6-14/h2-11H,12H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38310248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).