N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide

C14H15BrN2O2 — CID 43739581

IUPACN-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(Br)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-4-11(17-10(2)18)7-13(9)16-8-12-5-6-14(15)19-12/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQGHXCNKXHUUDNX-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.92
Rot. Bonds4

About N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide

N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide (PubChem CID 43739581) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
PubChem CID43739581
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2ccc(Br)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-4-11(17-10(2)18)7-13(9)16-8-12-5-6-14(15)19-12/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQGHXCNKXHUUDNX-UHFFFAOYSA-N
XLogP3.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
CID 86994844
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727
N-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylphenyl]propanamide
CID 64579578
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide (CID 43739581) is N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2ccc(Br)o2)c1.
What is the InChIKey of N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is QGHXCNKXHUUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-3-4-11(17-10(2)18)7-13(9)16-8-12-5-6-14(15)19-12/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 323.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 43739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).