2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide

C15H13BrClNO3 — CID 1213643

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccccc1CO
InChIInChI=1S/C15H13BrClNO3/c16-12-7-11(17)5-6-14(12)21-9-15(20)18-13-4-2-1-3-10(13)8-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyGIDGRARSXMJJBR-UHFFFAOYSA-N
MW370.63 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide (PubChem CID 1213643) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
PubChem CID1213643
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccccc1CO
InChIInChI=1S/C15H13BrClNO3/c16-12-7-11(17)5-6-14(12)21-9-15(20)18-13-4-2-1-3-10(13)8-19/h1-7,19H,8-9H2,(H,18,20)
InChIKeyGIDGRARSXMJJBR-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-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 34877130
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-(2-bromo-4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 5021138

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide (CID 1213643) is 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1CO.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide?
The InChIKey is GIDGRARSXMJJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c16-12-7-11(17)5-6-14(12)21-9-15(20)18-13-4-2-1-3-10(13)8-19/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]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 2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 1213643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).