[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate

C21H18FNO3 — CID 2558377

IUPAC[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c1-14(15-9-11-17(22)12-10-15)23-20(24)13-26-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyWLNPJBDCBWEWCD-AWEZNQCLSA-N
MW351.38 g/mol
LogP4.01
Rot. Bonds5

About [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate

[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2558377) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2558377
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c1-14(15-9-11-17(22)12-10-15)23-20(24)13-26-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyWLNPJBDCBWEWCD-AWEZNQCLSA-N
XLogP4.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate 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-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-aminonaphthalene-1-carboxylate
CID 97246650
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841226
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 2629341
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526313
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-iodobenzoate
CID 2509775
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate (CID 2558377) is [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate is C[C@H](NC(=O)COC(=O)c1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is WLNPJBDCBWEWCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-14(15-9-11-17(22)12-10-15)23-20(24)13-26-21(25)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate?
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2558377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).