3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide

C17H16BrFN2O3 — CID 46461277

IUPAC3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C17H16BrFN2O3/c1-2-20-16(22)10-24-15-5-3-4-14(9-15)21-17(23)11-6-12(18)8-13(19)7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLGMKMHKNPDBDFP-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.36
Rot. Bonds6

About 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide

3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide (PubChem CID 46461277) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
PubChem CID46461277
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC Name3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C17H16BrFN2O3/c1-2-20-16(22)10-24-15-5-3-4-14(9-15)21-17(23)11-6-12(18)8-13(19)7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLGMKMHKNPDBDFP-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 39041372
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide (CID 46461277) is 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide is CCNC(=O)COc1cccc(NC(=O)c2cc(F)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide?
The InChIKey is LGMKMHKNPDBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-2-20-16(22)10-24-15-5-3-4-14(9-15)21-17(23)11-6-12(18)8-13(19)7-11/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide?
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide has a molecular weight of 395.23 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide is sourced from PubChem (CID 46461277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).