N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide

C15H17BrN2O2 — CID 8918532

IUPACN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccco2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-5-6-13(12(16)8-10)18-15(19)9-17-11(2)14-4-3-7-20-14/h3-8,11,17H,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQDSBTRZYIYIHJH-LLVKDONJSA-N
MW337.22 g/mol
LogP3.64
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 8918532) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID8918532
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccco2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-10-5-6-13(12(16)8-10)18-15(19)9-17-11(2)14-4-3-7-20-14/h3-8,11,17H,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyQDSBTRZYIYIHJH-LLVKDONJSA-N
XLogP3.64
TPSA54.27 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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919166
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918639
(2S,3S)-2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099823
methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 8919600
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (CID 8918532) is N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@H](C)c2ccco2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is QDSBTRZYIYIHJH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-5-6-13(12(16)8-10)18-15(19)9-17-11(2)14-4-3-7-20-14/h3-8,11,17H,9H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 337.22 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8918532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).