2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide

C18H13BrClNO2 — CID 22708162

IUPAC2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide
SMILESO=C(CBr)Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13BrClNO2/c19-11-18(22)21-16-10-14(20)6-8-17(16)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyIJOVZZHFDZNDQE-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.62
Rot. Bonds4

About 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide

2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide (PubChem CID 22708162) has the molecular formula C18H13BrClNO2 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide
PubChem CID22708162
Molecular FormulaC18H13BrClNO2
Molecular Weight390.66 g/mol
Exact Mass388.98
IUPAC Name2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide
SMILESO=C(CBr)Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13BrClNO2/c19-11-18(22)21-16-10-14(20)6-8-17(16)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyIJOVZZHFDZNDQE-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 92685827
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
2-(4-acetamidophenyl)sulfanyl-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 24676484
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4802995
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide (CID 22708162) is 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide is O=C(CBr)Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide?
The InChIKey is IJOVZZHFDZNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO2/c19-11-18(22)21-16-10-14(20)6-8-17(16)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22).
What are the key properties of 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide?
2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide has a molecular weight of 390.66 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-naphthalen-2-yloxyphenyl)acetamide is sourced from PubChem (CID 22708162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).