2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide

C17H17BrFNO2 — CID 18102328

IUPAC2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(12-4-6-13(19)7-5-12)20(2)17(21)15-10-14(22-3)8-9-16(15)18/h4-11H,1-3H3
InChIKeyVITLMXJEZPQGBO-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.43
Rot. Bonds4

About 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide

2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide (PubChem CID 18102328) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
PubChem CID18102328
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(12-4-6-13(19)7-5-12)20(2)17(21)15-10-14(22-3)8-9-16(15)18/h4-11H,1-3H3
InChIKeyVITLMXJEZPQGBO-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
2-bromo-N-(2-bromoethyl)-5-methoxy-N-propan-2-ylbenzamide
CID 80666522
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 55420534

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide (CID 18102328) is 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide is COc1ccc(Br)c(C(=O)N(C)C(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide?
The InChIKey is VITLMXJEZPQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(12-4-6-13(19)7-5-12)20(2)17(21)15-10-14(22-3)8-9-16(15)18/h4-11H,1-3H3.
What are the key properties of 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide?
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide has a molecular weight of 366.23 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 18102328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).