[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate

C21H18FNO3 — CID 7828492

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESO=C(COC(=O)Cc1ccc2ccccc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c22-19-9-6-15(7-10-19)13-23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12-14H2,(H,23,24)
InChIKeyULQDITLAWGKIBG-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.38
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate (PubChem CID 7828492) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
PubChem CID7828492
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESO=C(COC(=O)Cc1ccc2ccccc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C21H18FNO3/c22-19-9-6-15(7-10-19)13-23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12-14H2,(H,23,24)
InChIKeyULQDITLAWGKIBG-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828580
1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 8942575
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613260
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608364
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185613
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate (CID 7828492) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate is O=C(COC(=O)Cc1ccc2ccccc2c1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate?
The InChIKey is ULQDITLAWGKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-19-9-6-15(7-10-19)13-23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12-14H2,(H,23,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate has a molecular weight of 351.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate is sourced from PubChem (CID 7828492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).