N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C16H19BrN2O2 — CID 9102591

IUPACN-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Br)c2)o1
InChIInChI=1S/C16H19BrN2O2/c1-11-4-6-13(8-15(11)17)18-16(20)10-19(3)9-14-7-5-12(2)21-14/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyZUUVFOAUDQEZNJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.73
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 9102591) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID9102591
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Br)c2)o1
InChIInChI=1S/C16H19BrN2O2/c1-11-4-6-13(8-15(11)17)18-16(20)10-19(3)9-14-7-5-12(2)21-14/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyZUUVFOAUDQEZNJ-UHFFFAOYSA-N
XLogP3.73
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
2-[methyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622205
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 9102591) is N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)Nc2ccc(C)c(Br)c2)o1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is ZUUVFOAUDQEZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-4-6-13(8-15(11)17)18-16(20)10-19(3)9-14-7-5-12(2)21-14/h4-8H,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 351.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9102591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).