2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide

C17H16BrNO3 — CID 108798758

IUPAC2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO3/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDSRZWMZGXZXTPZ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide (PubChem CID 108798758) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
PubChem CID108798758
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(=O)CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO3/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDSRZWMZGXZXTPZ-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
CID 61127076
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-(5-bromopentyl)-2-(4-methoxyphenyl)acetamide
CID 107321925
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 19757563
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide (CID 108798758) is 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide is COc1ccc(C(=O)CNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
The InChIKey is DSRZWMZGXZXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide has a molecular weight of 362.22 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide is sourced from PubChem (CID 108798758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).