2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide

C15H14BrFN2O2 — CID 61061796

IUPAC2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Br)cc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-6-5-10(16)7-13(14)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHWYMGIPBCSFBPO-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.65
Rot. Bonds5

About 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide

2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 61061796) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
PubChem CID61061796
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Br)cc1NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-6-5-10(16)7-13(14)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyHWYMGIPBCSFBPO-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
3-(4-bromo-2-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042029
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
N-(3-fluorophenyl)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113000475

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide (CID 61061796) is 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide is COc1ccc(Br)cc1NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is HWYMGIPBCSFBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-14-6-5-10(16)7-13(14)18-9-15(20)19-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide?
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 61061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).