2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide

C20H16BrNO3 — CID 59527675

IUPAC2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2ccc3ccccc3c2NC(=O)CBr)c1
InChIInChI=1S/C20H16BrNO3/c1-25-15-7-4-6-14(11-15)20(24)17-10-9-13-5-2-3-8-16(13)19(17)22-18(23)12-21/h2-11H,12H2,1H3,(H,22,23)
InChIKeySEJWVRKVYWEOOC-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.41
Rot. Bonds5

About 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide

2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide (PubChem CID 59527675) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide
PubChem CID59527675
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide
SMILESCOc1cccc(C(=O)c2ccc3ccccc3c2NC(=O)CBr)c1
InChIInChI=1S/C20H16BrNO3/c1-25-15-7-4-6-14(11-15)20(24)17-10-9-13-5-2-3-8-16(13)19(17)22-18(23)12-21/h2-11H,12H2,1H3,(H,22,23)
InChIKeySEJWVRKVYWEOOC-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(3-methoxyphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613239
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide?
The IUPAC name of 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide (CID 59527675) is 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide is COc1cccc(C(=O)c2ccc3ccccc3c2NC(=O)CBr)c1.
What is the InChIKey of 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide?
The InChIKey is SEJWVRKVYWEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3/c1-25-15-7-4-6-14(11-15)20(24)17-10-9-13-5-2-3-8-16(13)19(17)22-18(23)12-21/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide?
2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide has a molecular weight of 398.26 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methoxybenzoyl)naphthalen-1-yl]acetamide is sourced from PubChem (CID 59527675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).