2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide

C20H21FN2O3 — CID 108538205

IUPAC2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)18(24)10-11-19(25)22-12-13-23-20(26)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyYLNIUZVZUUGKTC-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.64
Rot. Bonds8

About 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide

2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide (PubChem CID 108538205) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
PubChem CID108538205
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
SMILESCc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)18(24)10-11-19(25)22-12-13-23-20(26)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyYLNIUZVZUUGKTC-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]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-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
2,5-dichloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108540671
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
CID 108570802
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
2-fluoro-N-[2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]benzamide
CID 55982413
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide (CID 108538205) is 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide is Cc1ccc(C(=O)CCC(=O)NCCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
The InChIKey is YLNIUZVZUUGKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-14-6-8-15(9-7-14)18(24)10-11-19(25)22-12-13-23-20(26)16-4-2-3-5-17(16)21/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide?
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108538205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).