N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide

C19H14FN3O2 — CID 11416390

IUPACN-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide
SMILESN#CC(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O2/c20-16-8-6-13(7-9-16)17(15(11-21)12-22)10-18(24)23-19(25)14-4-2-1-3-5-14/h1-9,15,17H,10H2,(H,23,24,25)/t17-/m0/s1
InChIKeyLGDHMIQIXNDFGY-KRWDZBQOSA-N
MW335.34 g/mol
LogP2.92
Rot. Bonds5

About N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide

N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide (PubChem CID 11416390) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide
PubChem CID11416390
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC NameN-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide
SMILESN#CC(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O2/c20-16-8-6-13(7-9-16)17(15(11-21)12-22)10-18(24)23-19(25)14-4-2-1-3-5-14/h1-9,15,17H,10H2,(H,23,24,25)/t17-/m0/s1
InChIKeyLGDHMIQIXNDFGY-KRWDZBQOSA-N
XLogP2.92
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]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-fluoro-N-phenethylbenzamide
CID 745660
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
2-Fluoro-N-(2-phenylethyl)benzamide
CID 579557
N-benzoylbenzamide
CID 136413
4-Cyano-N-[(1s,2r)-2-Phenylcyclopropyl]benzamide
CID 49837852
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzamide
CID 11976769
4-fluoro-N-{2-[(4-fluorobenzoyl)amino]ethyl}benzamide
CID 1581753
N,N'-1,4-butanediylbis(2-fluorobenzamide)
CID 2166446
N-(4-phenylhepta-1,6-dien-4-yl)benzamide
CID 1225154
N-[4-(4-Benzyl-piperidin-1-yl)-butyl]-4-fluoro-benzamide
CID 44295529
N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-4-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 168270693

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide?
The IUPAC name of N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide (CID 11416390) is N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide.
What is the SMILES notation for N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide?
The canonical SMILES for N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide is N#CC(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide?
The InChIKey is LGDHMIQIXNDFGY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-16-8-6-13(7-9-16)17(15(11-21)12-22)10-18(24)23-19(25)14-4-2-1-3-5-14/h1-9,15,17H,10H2,(H,23,24,25)/t17-/m0/s1.
What are the key properties of N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide?
N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide has a molecular weight of 335.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-dicyano-3-(4-fluorophenyl)butanoyl]benzamide is sourced from PubChem (CID 11416390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).