2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide

C19H21FN2O2 — CID 133215029

IUPAC2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C19H21FN2O2/c1-14(23)22(13-16-8-10-17(20)11-9-16)18(19(24)21-2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyWJZFNNPAFOWCOD-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds6

About 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide (PubChem CID 133215029) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
PubChem CID133215029
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C19H21FN2O2/c1-14(23)22(13-16-8-10-17(20)11-9-16)18(19(24)21-2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyWJZFNNPAFOWCOD-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665126
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 132612809
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611663
2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132617396
2-[(4-fluorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132614635
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132636528
(2S)-N-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100682890
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214755

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide (CID 133215029) is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide?
The InChIKey is WJZFNNPAFOWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(23)22(13-16-8-10-17(20)11-9-16)18(19(24)21-2)12-15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide?
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 133215029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).