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

C20H26FN3O — CID 109020959

IUPACN-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccccc2F)cc1
InChIInChI=1S/C20H26FN3O/c1-3-24(4-2)18-11-9-17(10-12-18)23-20(25)13-14-22-15-16-7-5-6-8-19(16)21/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyKWCJXMCCRDUNQR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.79
Rot. Bonds9

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

N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 109020959) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID109020959
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCc2ccccc2F)cc1
InChIInChI=1S/C20H26FN3O/c1-3-24(4-2)18-11-9-17(10-12-18)23-20(25)13-14-22-15-16-7-5-6-8-19(16)21/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyKWCJXMCCRDUNQR-UHFFFAOYSA-N
XLogP3.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide (CID 109020959) is N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide is CCN(CC)c1ccc(NC(=O)CCNCc2ccccc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is KWCJXMCCRDUNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-3-24(4-2)18-11-9-17(10-12-18)23-20(25)13-14-22-15-16-7-5-6-8-19(16)21/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide?
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109020959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).