2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C21H17BrF2N2O3 — CID 55790872

IUPAC2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-25-21(28)20(14-4-7-17(23)18(24)10-14)26-19(27)11-29-16-6-3-12-8-15(22)5-2-13(12)9-16/h2-10,20H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyIJIWRDSDSHZLFN-UHFFFAOYSA-N
MW463.28 g/mol
LogP3.86
Rot. Bonds6

About 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 55790872) has the molecular formula C21H17BrF2N2O3 and a molecular weight of 463.28 g/mol. Its IUPAC name is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID55790872
Molecular FormulaC21H17BrF2N2O3
Molecular Weight463.28 g/mol
Exact Mass462.04
IUPAC Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H17BrF2N2O3/c1-25-21(28)20(14-4-7-17(23)18(24)10-14)26-19(27)11-29-16-6-3-12-8-15(22)5-2-13(12)9-16/h2-10,20H,11H2,1H3,(H,25,28)(H,26,27)
InChIKeyIJIWRDSDSHZLFN-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 78834542
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]acetamide
CID 55483919
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-2-(3,4-difluorophenyl)acetic acid
CID 91647068
4-(2-bromophenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790503
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55790506
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
2-(3,4-difluorophenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-methylacetamide
CID 78834446
2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55691286
4-butoxy-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55483855
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 55790872) is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is IJIWRDSDSHZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF2N2O3/c1-25-21(28)20(14-4-7-17(23)18(24)10-14)26-19(27)11-29-16-6-3-12-8-15(22)5-2-13(12)9-16/h2-10,20H,11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 463.28 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55790872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).