2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide

C21H22FN3O3 — CID 18153747

IUPAC2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22FN3O3/c22-18-6-2-1-5-17(18)20(27)24-14-19(26)23-13-15-7-9-16(10-8-15)21(28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,23,26)(H,24,27)
InChIKeyOGWPHNWGXASVIL-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.11
Rot. Bonds6

About 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide

2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 18153747) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
PubChem CID18153747
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22FN3O3/c22-18-6-2-1-5-17(18)20(27)24-14-19(26)23-13-15-7-9-16(10-8-15)21(28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,23,26)(H,24,27)
InChIKeyOGWPHNWGXASVIL-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]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

2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
N-[[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]acetamide
CID 78850069
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 18153736
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55898307

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide (CID 18153747) is 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is OGWPHNWGXASVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-18-6-2-1-5-17(18)20(27)24-14-19(26)23-13-15-7-9-16(10-8-15)21(28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,23,26)(H,24,27).
What are the key properties of 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide?
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 18153747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).