N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide

C15H13BrClNO3 — CID 115956327

IUPACN-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(Cl)cccc1CO)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3/c16-11-5-1-2-7-13(11)18-14(20)9-21-15-10(8-19)4-3-6-12(15)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyPDRYMVRGSZMMDD-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.61
Rot. Bonds5

About N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide

N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide (PubChem CID 115956327) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide
PubChem CID115956327
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC NameN-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1c(Cl)cccc1CO)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3/c16-11-5-1-2-7-13(11)18-14(20)9-21-15-10(8-19)4-3-6-12(15)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyPDRYMVRGSZMMDD-UHFFFAOYSA-N
XLogP3.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-6-bromophenoxy)-N-(2-chlorophenyl)acetamide
CID 81499243
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064959
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558535
N-(2-bromophenyl)-2-naphthalen-1-ylacetamide
CID 835456
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 112612673
2-(2-amino-6-chlorophenoxy)-N-(2-methylphenyl)acetamide
CID 107716023

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide (CID 115956327) is N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide is O=C(COc1c(Cl)cccc1CO)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is PDRYMVRGSZMMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c16-11-5-1-2-7-13(11)18-14(20)9-21-15-10(8-19)4-3-6-12(15)17/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide?
N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 370.63 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 115956327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).