N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

C23H21FN2O3 — CID 9115772

IUPACN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3/c1-16(17-7-11-19(24)12-8-17)26-22(27)15-25-23(28)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyWSPLVXGWGCXAJI-INIZCTEOSA-N
MW392.43 g/mol
LogP4.23
Rot. Bonds7

About N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide

N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 9115772) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID9115772
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O3/c1-16(17-7-11-19(24)12-8-17)26-22(27)15-25-23(28)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyWSPLVXGWGCXAJI-INIZCTEOSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 8008838
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
CID 60618425
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide (CID 9115772) is N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is C[C@H](NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is WSPLVXGWGCXAJI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-16(17-7-11-19(24)12-8-17)26-22(27)15-25-23(28)18-9-13-21(14-10-18)29-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 392.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 9115772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).