N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide

C25H25FN2O2 — CID 46647738

IUPACN-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O2/c1-18(19-13-15-22(26)16-14-19)28(2)24(29)17-23(20-9-5-3-6-10-20)27-25(30)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H,27,30)
InChIKeyQFXZGVXCAFBJMB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.91
Rot. Bonds7

About N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 46647738) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID46647738
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O2/c1-18(19-13-15-22(26)16-14-19)28(2)24(29)17-23(20-9-5-3-6-10-20)27-25(30)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H,27,30)
InChIKeyQFXZGVXCAFBJMB-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
[1-[[3-benzamido-3-(4-fluorophenyl)propanoyl]amino]-3-methylbutyl]boronic acid
CID 75307019
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214921
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
4-[(3-benzamido-3-phenylpropanoyl)-methylamino]butanoic acid
CID 119173149
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide (CID 46647738) is N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide is CC(c1ccc(F)cc1)N(C)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is QFXZGVXCAFBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-18(19-13-15-22(26)16-14-19)28(2)24(29)17-23(20-9-5-3-6-10-20)27-25(30)21-11-7-4-8-12-21/h3-16,18,23H,17H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 46647738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).