(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

C18H19FN2O4 — CID 8887523

IUPAC(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
SMILESCOc1ccc(COC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C18H19FN2O4/c1-12(20-18(23)21-14-6-4-3-5-7-14)17(22)25-11-13-8-9-16(24-2)15(19)10-13/h3-10,12H,11H2,1-2H3,(H2,20,21,23)/t12-/m0/s1
InChIKeyLHFOQTIEZDDBGR-LBPRGKRZSA-N
MW346.36 g/mol
LogP3.09
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate (PubChem CID 8887523) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
PubChem CID8887523
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
SMILESCOc1ccc(COC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C18H19FN2O4/c1-12(20-18(23)21-14-6-4-3-5-7-14)17(22)25-11-13-8-9-16(24-2)15(19)10-13/h3-10,12H,11H2,1-2H3,(H2,20,21,23)/t12-/m0/s1
InChIKeyLHFOQTIEZDDBGR-LBPRGKRZSA-N
XLogP3.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate 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

2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196743
(4-cyanophenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887027
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843363
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 9491263
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
(5-chloro-2-methoxyphenyl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981667
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate
CID 8883763
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate (CID 8887523) is (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate is COc1ccc(COC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate?
The InChIKey is LHFOQTIEZDDBGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-12(20-18(23)21-14-6-4-3-5-7-14)17(22)25-11-13-8-9-16(24-2)15(19)10-13/h3-10,12H,11H2,1-2H3,(H2,20,21,23)/t12-/m0/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate?
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate has a molecular weight of 346.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 8887523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).