N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide

C21H25FN2O2 — CID 133238136

IUPACN-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC
InChIInChI=1S/C21H25FN2O2/c1-3-14-23-21(26)20(17-8-6-5-7-9-17)24(19(25)4-2)15-16-10-12-18(22)13-11-16/h5-13,20H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyLEYDYRZRXVIGHM-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.83
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide

N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide (PubChem CID 133238136) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
PubChem CID133238136
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC
InChIInChI=1S/C21H25FN2O2/c1-3-14-23-21(26)20(17-8-6-5-7-9-17)24(19(25)4-2)15-16-10-12-18(22)13-11-16/h5-13,20H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyLEYDYRZRXVIGHM-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133238194
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-[3,3-diphenylpropanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622470
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133214951
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133237587
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 133238351
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]butanamide
CID 133238187
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide (CID 133238136) is N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide is CCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide?
The InChIKey is LEYDYRZRXVIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-14-23-21(26)20(17-8-6-5-7-9-17)24(19(25)4-2)15-16-10-12-18(22)13-11-16/h5-13,20H,3-4,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide?
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide has a molecular weight of 356.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 133238136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).