2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C18H18BrNO3 — CID 18196743

IUPAC2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C18H18BrNO3/c1-12-6-7-17(14(19)10-12)23-11-18(21)20-15-8-9-22-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeyBLMXIZHGCWYWED-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 18196743) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID18196743
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C18H18BrNO3/c1-12-6-7-17(14(19)10-12)23-11-18(21)20-15-8-9-22-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeyBLMXIZHGCWYWED-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 46608472
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 46607391
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 35338499
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 18193059
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55526398
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 18196743) is 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is Cc1ccc(OCC(=O)NC2CCOc3ccccc32)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is BLMXIZHGCWYWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-12-6-7-17(14(19)10-12)23-11-18(21)20-15-8-9-22-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 18196743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).