2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide

C19H19BrN2O2 — CID 112801581

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(C)c2cc3ccccc3o2)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-12-7-8-16(15(20)9-12)22-19(23)11-21-13(2)18-10-14-5-3-4-6-17(14)24-18/h3-10,13,21H,11H2,1-2H3,(H,22,23)
InChIKeyQTCCEAITALKHHA-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.79
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 112801581) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID112801581
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(C)c2cc3ccccc3o2)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-12-7-8-16(15(20)9-12)22-19(23)11-21-13(2)18-10-14-5-3-4-6-17(14)24-18/h3-10,13,21H,11H2,1-2H3,(H,22,23)
InChIKeyQTCCEAITALKHHA-UHFFFAOYSA-N
XLogP4.79
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307050
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 112801580
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 86916154
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide (CID 112801581) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNC(C)c2cc3ccccc3o2)c(Br)c1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is QTCCEAITALKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-7-8-16(15(20)9-12)22-19(23)11-21-13(2)18-10-14-5-3-4-6-17(14)24-18/h3-10,13,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 387.28 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 112801581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).