N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide

C17H17BrFNO3 — CID 46472904

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide
SMILESCOc1cccc(COCC(=O)NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H17BrFNO3/c1-22-15-4-2-3-12(7-15)10-23-11-17(21)20-9-13-8-14(18)5-6-16(13)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyPZLQSWWIGQXJDN-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.43
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide (PubChem CID 46472904) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide
PubChem CID46472904
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide
SMILESCOc1cccc(COCC(=O)NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H17BrFNO3/c1-22-15-4-2-3-12(7-15)10-23-11-17(21)20-9-13-8-14(18)5-6-16(13)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyPZLQSWWIGQXJDN-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
1-(2,5-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031147
N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxy-3-methylbutanamide
CID 103020675
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
CID 112728062
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide (CID 46472904) is N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide is COc1cccc(COCC(=O)NCc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide?
The InChIKey is PZLQSWWIGQXJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-22-15-4-2-3-12(7-15)10-23-11-17(21)20-9-13-8-14(18)5-6-16(13)19/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide has a molecular weight of 382.23 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]acetamide is sourced from PubChem (CID 46472904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).