2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide

C15H17BrN2O2 — CID 86789547

IUPAC2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NC(C(N)=O)c2cccc(Br)c2)o1
InChIInChI=1S/C15H17BrN2O2/c1-9-6-7-13(20-9)10(2)18-14(15(17)19)11-4-3-5-12(16)8-11/h3-8,10,14,18H,1-2H3,(H2,17,19)
InChIKeyJUJRHBKOHFTYLS-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide

2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (PubChem CID 86789547) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
PubChem CID86789547
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NC(C(N)=O)c2cccc(Br)c2)o1
InChIInChI=1S/C15H17BrN2O2/c1-9-6-7-13(20-9)10(2)18-14(15(17)19)11-4-3-5-12(16)8-11/h3-8,10,14,18H,1-2H3,(H2,17,19)
InChIKeyJUJRHBKOHFTYLS-UHFFFAOYSA-N
XLogP3.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 95304362
N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 112771099
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
2-(3-bromophenyl)-2-(2-methoxyanilino)acetamide
CID 60995761

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The IUPAC name of 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide (CID 86789547) is 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide is Cc1ccc(C(C)NC(C(N)=O)c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
The InChIKey is JUJRHBKOHFTYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-6-7-13(20-9)10(2)18-14(15(17)19)11-4-3-5-12(16)8-11/h3-8,10,14,18H,1-2H3,(H2,17,19).
What are the key properties of 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide?
2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide is sourced from PubChem (CID 86789547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).