2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide

C18H12BrClFNO2 — CID 7642313

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H12BrClFNO2/c19-18-13-4-2-1-3-11(13)5-8-16(18)24-10-17(23)22-15-7-6-12(21)9-14(15)20/h1-9H,10H2,(H,22,23)
InChIKeyGOSVJTYFBVRREO-UHFFFAOYSA-N
MW408.65 g/mol
LogP5.41
Rot. Bonds4

About 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 7642313) has the molecular formula C18H12BrClFNO2 and a molecular weight of 408.65 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID7642313
Molecular FormulaC18H12BrClFNO2
Molecular Weight408.65 g/mol
Exact Mass406.97
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)cc1Cl
InChIInChI=1S/C18H12BrClFNO2/c19-18-13-4-2-1-3-11(13)5-8-16(18)24-10-17(23)22-15-7-6-12(21)9-14(15)20/h1-9H,10H2,(H,22,23)
InChIKeyGOSVJTYFBVRREO-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.65
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide (CID 7642313) is 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide is O=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is GOSVJTYFBVRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClFNO2/c19-18-13-4-2-1-3-11(13)5-8-16(18)24-10-17(23)22-15-7-6-12(21)9-14(15)20/h1-9H,10H2,(H,22,23).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 408.65 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 7642313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).