2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide

C16H17BrN2O2 — CID 63333006

IUPAC2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
SMILESCc1ccc(NCc2ccc(OCC(N)=O)cc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-2-5-13(8-15(11)17)19-9-12-3-6-14(7-4-12)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyOPUUEUXZKSQAKH-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.23
Rot. Bonds6

About 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide

2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide (PubChem CID 63333006) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
PubChem CID63333006
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
SMILESCc1ccc(NCc2ccc(OCC(N)=O)cc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-11-2-5-13(8-15(11)17)19-9-12-3-6-14(7-4-12)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyOPUUEUXZKSQAKH-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-bromo-4-methylanilino)methyl]phenyl]acetic acid
CID 103251368
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
3-bromo-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 63463129
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide (CID 63333006) is 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide is Cc1ccc(NCc2ccc(OCC(N)=O)cc2)cc1Br.
What is the InChIKey of 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide?
The InChIKey is OPUUEUXZKSQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-2-5-13(8-15(11)17)19-9-12-3-6-14(7-4-12)21-10-16(18)20/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide?
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 63333006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).