N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

C15H12Br2FNO2 — CID 39166458

IUPACN-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Br)ccc2Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c1-21-14-5-2-9(6-12(14)18)7-15(20)19-13-8-10(16)3-4-11(13)17/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyCHGLYELJCQEVKE-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.54
Rot. Bonds4

About N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 39166458) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID39166458
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC NameN-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Br)ccc2Br)cc1F
InChIInChI=1S/C15H12Br2FNO2/c1-21-14-5-2-9(6-12(14)18)7-15(20)19-13-8-10(16)3-4-11(13)17/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyCHGLYELJCQEVKE-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 75382210
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526690
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 24567817
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 39166458) is N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(Br)ccc2Br)cc1F.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is CHGLYELJCQEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-21-14-5-2-9(6-12(14)18)7-15(20)19-13-8-10(16)3-4-11(13)17/h2-6,8H,7H2,1H3,(H,19,20).
What are the key properties of N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 417.07 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 39166458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).