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

C18H19Cl2FN2O — CID 109020733

IUPAC3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1Cl)NCc1ccccc1F
InChIInChI=1S/C18H19Cl2FN2O/c19-15-6-5-13(16(20)11-15)7-9-22-10-8-18(24)23-12-14-3-1-2-4-17(14)21/h1-6,11,22H,7-10,12H2,(H,23,24)
InChIKeyOSXWAJULGQRLRH-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.97
Rot. Bonds8

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

3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 109020733) has the molecular formula C18H19Cl2FN2O and a molecular weight of 369.27 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID109020733
Molecular FormulaC18H19Cl2FN2O
Molecular Weight369.27 g/mol
Exact Mass368.09
IUPAC Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCNCCc1ccc(Cl)cc1Cl)NCc1ccccc1F
InChIInChI=1S/C18H19Cl2FN2O/c19-15-6-5-13(16(20)11-15)7-9-22-10-8-18(24)23-12-14-3-1-2-4-17(14)21/h1-6,11,22H,7-10,12H2,(H,23,24)
InChIKeyOSXWAJULGQRLRH-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.97
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

3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 46578246
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide (CID 109020733) is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCNCCc1ccc(Cl)cc1Cl)NCc1ccccc1F.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is OSXWAJULGQRLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O/c19-15-6-5-13(16(20)11-15)7-9-22-10-8-18(24)23-12-14-3-1-2-4-17(14)21/h1-6,11,22H,7-10,12H2,(H,23,24).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 369.27 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109020733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).