N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide

C17H16BrNO3 — CID 1013855

IUPACN-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16BrNO3/c1-11-8-14(18)6-7-16(11)22-10-17(21)19-15-5-3-4-13(9-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDTACXZOUSPAVDZ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.98
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide

N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 1013855) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID1013855
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC NameN-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16BrNO3/c1-11-8-14(18)6-7-16(11)22-10-17(21)19-15-5-3-4-13(9-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyDTACXZOUSPAVDZ-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637432
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide (CID 1013855) is N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is DTACXZOUSPAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-11-8-14(18)6-7-16(11)22-10-17(21)19-15-5-3-4-13(9-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 362.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide is sourced from PubChem (CID 1013855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).