(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide

C13H18FNO3 — CID 126439717

IUPAC(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(F)cc1OC
InChIInChI=1S/C13H18FNO3/c1-4-18-9(2)13(16)15-8-10-5-6-11(14)7-12(10)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyIGCIDRMVINWDHC-VIFPVBQESA-N
MW255.29 g/mol
LogP1.88
Rot. Bonds6

About (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide

(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide (PubChem CID 126439717) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide
PubChem CID126439717
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1ccc(F)cc1OC
InChIInChI=1S/C13H18FNO3/c1-4-18-9(2)13(16)15-8-10-5-6-11(14)7-12(10)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyIGCIDRMVINWDHC-VIFPVBQESA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]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

[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8975522
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9000925
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
CID 119071472
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
CID 154905412
[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625482
N-[(2-chlorophenyl)methyl]-2-(4-fluoro-2-methoxyanilino)propanamide
CID 86928510

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide (CID 126439717) is (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide is CCO[C@@H](C)C(=O)NCc1ccc(F)cc1OC.
What is the InChIKey of (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide?
The InChIKey is IGCIDRMVINWDHC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-18-9(2)13(16)15-8-10-5-6-11(14)7-12(10)17-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide?
(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide has a molecular weight of 255.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 126439717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).