N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide

C16H15BrFNO2 — CID 55900087

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C16H15BrFNO2/c1-21-15-5-3-2-4-11(15)9-16(20)19-10-12-8-13(18)6-7-14(12)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyZMZOBJZAGJUJEY-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.46
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide

N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 55900087) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
PubChem CID55900087
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C16H15BrFNO2/c1-21-15-5-3-2-4-11(15)9-16(20)19-10-12-8-13(18)6-7-14(12)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyZMZOBJZAGJUJEY-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110786198
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
N-[[2-(4-fluoro-2-methoxyphenyl)phenyl]methyl]propanamide
CID 56708842

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide (CID 55900087) is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is ZMZOBJZAGJUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-21-15-5-3-2-4-11(15)9-16(20)19-10-12-8-13(18)6-7-14(12)17/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 352.20 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55900087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).