N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide

C13H13BrN2O2 — CID 2452076

IUPACN-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyKRRQLEJEJLTINZ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.77
Rot. Bonds5

About N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide

N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide (PubChem CID 2452076) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
PubChem CID2452076
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyKRRQLEJEJLTINZ-UHFFFAOYSA-N
XLogP2.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018711
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
2-(furan-2-ylmethylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54818572
N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177334
N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
CID 8620903
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818603
N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
N-[3-[[2-(furan-2-ylmethylamino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54818995
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide (CID 2452076) is N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide is O=C(CNCc1ccco1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide?
The InChIKey is KRRQLEJEJLTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-7,15H,8-9H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide?
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide has a molecular weight of 309.16 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide is sourced from PubChem (CID 2452076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).