2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

C18H20BrNO3 — CID 7701603

IUPAC2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(Br)cc1CO)c1ccccc1
InChIInChI=1S/C18H20BrNO3/c1-13(2)20(16-6-4-3-5-7-16)18(22)12-23-17-9-8-15(19)10-14(17)11-21/h3-10,13,21H,11-12H2,1-2H3
InChIKeySNIKHCRBEXDGDJ-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 7701603) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
PubChem CID7701603
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(Br)cc1CO)c1ccccc1
InChIInChI=1S/C18H20BrNO3/c1-13(2)20(16-6-4-3-5-7-16)18(22)12-23-17-9-8-15(19)10-14(17)11-21/h3-10,13,21H,11-12H2,1-2H3
InChIKeySNIKHCRBEXDGDJ-UHFFFAOYSA-N
XLogP3.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 112788150
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
(5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]azanium
CID 8810459
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (CID 7701603) is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccc(Br)cc1CO)c1ccccc1.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is SNIKHCRBEXDGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13(2)20(16-6-4-3-5-7-16)18(22)12-23-17-9-8-15(19)10-14(17)11-21/h3-10,13,21H,11-12H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 378.27 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 7701603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).