N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C25H25FN2O3 — CID 55431310

IUPACN-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c1-28(16-17-31-23-15-9-8-14-21(23)26)25(30)22(18-19-10-4-2-5-11-19)27-24(29)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H,27,29)
InChIKeyKCOQRURVGYNEAS-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.70
Rot. Bonds9

About N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55431310) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55431310
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H25FN2O3/c1-28(16-17-31-23-15-9-8-14-21(23)26)25(30)22(18-19-10-4-2-5-11-19)27-24(29)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H,27,29)
InChIKeyKCOQRURVGYNEAS-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55948305
4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56549123
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55897590
N-[(2S)-1-[2-(2-fluorophenoxy)ethyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24552173
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55431310) is N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is CN(CCOc1ccccc1F)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is KCOQRURVGYNEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-28(16-17-31-23-15-9-8-14-21(23)26)25(30)22(18-19-10-4-2-5-11-19)27-24(29)20-12-6-3-7-13-20/h2-15,22H,16-18H2,1H3,(H,27,29).
What are the key properties of N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenoxy)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55431310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).