[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate

C19H13BrFNO3 — CID 8803664

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H13BrFNO3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,22,23)
InChIKeyOASFBNXOVYSHAZ-UHFFFAOYSA-N
MW402.22 g/mol
LogP4.54
Rot. Bonds4

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate (PubChem CID 8803664) has the molecular formula C19H13BrFNO3 and a molecular weight of 402.22 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
PubChem CID8803664
Molecular FormulaC19H13BrFNO3
Molecular Weight402.22 g/mol
Exact Mass401.01
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H13BrFNO3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,22,23)
InChIKeyOASFBNXOVYSHAZ-UHFFFAOYSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149341
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149287
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2530967
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 26178371
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796123
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 2116978
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926668
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2512939
[2-(3-methylanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387784
[2-(4-methoxyanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925007
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate (CID 8803664) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate is O=C(COC(=O)c1cc(Br)ccc1F)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The InChIKey is OASFBNXOVYSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO3/c20-14-6-8-17(21)16(10-14)19(24)25-11-18(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,22,23).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate has a molecular weight of 402.22 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate is sourced from PubChem (CID 8803664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).