N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide

C18H19FN2O3 — CID 51315396

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeyCBIRDSAGDZDHLU-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.11
Rot. Bonds7

About N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 51315396) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID51315396
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeyCBIRDSAGDZDHLU-UHFFFAOYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide 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-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
CID 56810885
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86956297
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 51315396) is N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C(N)=O)c2ccccc2)cc1F.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is CBIRDSAGDZDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-15-9-7-12(11-14(15)19)8-10-16(22)21-17(18(20)23)13-5-3-2-4-6-13/h2-7,9,11,17H,8,10H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 330.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 51315396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).