N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

C17H17Cl2FN2O — CID 109025214

IUPACN-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c18-14-2-1-3-15(19)17(14)22-16(23)9-11-21-10-8-12-4-6-13(20)7-5-12/h1-7,21H,8-11H2,(H,22,23)
InChIKeyVCFPSWBJNVVVPB-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.29
Rot. Bonds7

About N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (PubChem CID 109025214) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
PubChem CID109025214
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC NameN-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c18-14-2-1-3-15(19)17(14)22-16(23)9-11-21-10-8-12-4-6-13(20)7-5-12/h1-7,21H,8-11H2,(H,22,23)
InChIKeyVCFPSWBJNVVVPB-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
CID 55457102
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (CID 109025214) is N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is O=C(CCNCCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The InChIKey is VCFPSWBJNVVVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c18-14-2-1-3-15(19)17(14)22-16(23)9-11-21-10-8-12-4-6-13(20)7-5-12/h1-7,21H,8-11H2,(H,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide has a molecular weight of 355.24 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109025214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).