N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide

C22H27FN2O2 — CID 110622036

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-3-25(4-2)20(17-10-6-5-7-11-17)16-24-22(27)15-14-21(26)18-12-8-9-13-19(18)23/h5-13,20H,3-4,14-16H2,1-2H3,(H,24,27)
InChIKeyLMPGNJUZFDKLCU-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.99
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide

N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide (PubChem CID 110622036) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
PubChem CID110622036
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-3-25(4-2)20(17-10-6-5-7-11-17)16-24-22(27)15-14-21(26)18-12-8-9-13-19(18)23/h5-13,20H,3-4,14-16H2,1-2H3,(H,24,27)
InChIKeyLMPGNJUZFDKLCU-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]-3-hydroxy-4-methylpentanamide
CID 75386938
4-bromo-N-[2-(diethylamino)-2-phenylethyl]-2-fluorobenzamide
CID 18167188
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide (CID 110622036) is N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide is CCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The InChIKey is LMPGNJUZFDKLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-25(4-2)20(17-10-6-5-7-11-17)16-24-22(27)15-14-21(26)18-12-8-9-13-19(18)23/h5-13,20H,3-4,14-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide has a molecular weight of 370.47 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110622036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).