N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

C14H7BrCl5NO2 — CID 19178145

IUPACN-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C14H7BrCl5NO2/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22)
InChIKeyRBOXRFFWIAWTLO-UHFFFAOYSA-N
MW478.38 g/mol
LogP6.73
Rot. Bonds4

About N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (PubChem CID 19178145) has the molecular formula C14H7BrCl5NO2 and a molecular weight of 478.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
PubChem CID19178145
Molecular FormulaC14H7BrCl5NO2
Molecular Weight478.38 g/mol
Exact Mass474.81
IUPAC NameN-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C14H7BrCl5NO2/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22)
InChIKeyRBOXRFFWIAWTLO-UHFFFAOYSA-N
XLogP6.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 115951921
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 114318480
N-(3-bromophenyl)-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7917215
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (CID 19178145) is N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The InChIKey is RBOXRFFWIAWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl5NO2/c15-6-2-1-3-7(4-6)21-8(22)5-23-14-12(19)10(17)9(16)11(18)13(14)20/h1-4H,5H2,(H,21,22).
What are the key properties of N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide has a molecular weight of 478.38 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is sourced from PubChem (CID 19178145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).