2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide

C19H15BrINO2 — CID 4729727

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H15BrINO2/c1-24-18-9-2-12-10-13(20)3-8-16(12)17(18)11-19(23)22-15-6-4-14(21)5-7-15/h2-10H,11H2,1H3,(H,22,23)
InChIKeyDPDMPVKUPYHCIT-UHFFFAOYSA-N
MW496.14 g/mol
LogP5.40
Rot. Bonds4

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide (PubChem CID 4729727) has the molecular formula C19H15BrINO2 and a molecular weight of 496.14 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
PubChem CID4729727
Molecular FormulaC19H15BrINO2
Molecular Weight496.14 g/mol
Exact Mass494.93
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H15BrINO2/c1-24-18-9-2-12-10-13(20)3-8-16(12)17(18)11-19(23)22-15-6-4-14(21)5-7-15/h2-10H,11H2,1H3,(H,22,23)
InChIKeyDPDMPVKUPYHCIT-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.14
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2979247
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
2-(4-hydroxy-3-methoxyphenyl)-N-(4-iodophenyl)acetamide
CID 22019683

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide (CID 4729727) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide is COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is DPDMPVKUPYHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrINO2/c1-24-18-9-2-12-10-13(20)3-8-16(12)17(18)11-19(23)22-15-6-4-14(21)5-7-15/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 496.14 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 4729727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).