N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

C19H23FN2O — CID 109025134

IUPACN-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCCc2ccc(F)cc2)c1C
InChIInChI=1S/C19H23FN2O/c1-14-4-3-5-18(15(14)2)22-19(23)11-13-21-12-10-16-6-8-17(20)9-7-16/h3-9,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyXKFNBDFUEFRHAZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.60
Rot. Bonds7

About N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (PubChem CID 109025134) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
PubChem CID109025134
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCCc2ccc(F)cc2)c1C
InChIInChI=1S/C19H23FN2O/c1-14-4-3-5-18(15(14)2)22-19(23)11-13-21-12-10-16-6-8-17(20)9-7-16/h3-9,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyXKFNBDFUEFRHAZ-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide 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

N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
3-(4-fluorophenyl)-N-(2-methoxy-3-methylphenyl)propanamide
CID 71104305
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (CID 109025134) is N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is Cc1cccc(NC(=O)CCNCCc2ccc(F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The InChIKey is XKFNBDFUEFRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14-4-3-5-18(15(14)2)22-19(23)11-13-21-12-10-16-6-8-17(20)9-7-16/h3-9,21H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide has a molecular weight of 314.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109025134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).