N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide

C18H20F2N2O — CID 109020851

IUPACN-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O/c19-16-7-5-14(6-8-16)9-12-22-18(23)10-11-21-13-15-3-1-2-4-17(15)20/h1-8,21H,9-13H2,(H,22,23)
InChIKeyDRXNPSBTYWCPIR-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide

N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 109020851) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID109020851
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccccc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O/c19-16-7-5-14(6-8-16)9-12-22-18(23)10-11-21-13-15-3-1-2-4-17(15)20/h1-8,21H,9-13H2,(H,22,23)
InChIKeyDRXNPSBTYWCPIR-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.80
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-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020705
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide (CID 109020851) is N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide is O=C(CCNCc1ccccc1F)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is DRXNPSBTYWCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-16-7-5-14(6-8-16)9-12-22-18(23)10-11-21-13-15-3-1-2-4-17(15)20/h1-8,21H,9-13H2,(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 318.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109020851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).