N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C16H16BrClN2O2 — CID 91689078

IUPACN-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2N)cc(C)c1Cl
InChIInChI=1S/C16H16BrClN2O2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyQJFORIAKNHXYIO-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.32
Rot. Bonds4

About N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 91689078) has the molecular formula C16H16BrClN2O2 and a molecular weight of 383.67 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID91689078
Molecular FormulaC16H16BrClN2O2
Molecular Weight383.67 g/mol
Exact Mass382.01
IUPAC NameN-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2N)cc(C)c1Cl
InChIInChI=1S/C16H16BrClN2O2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyQJFORIAKNHXYIO-UHFFFAOYSA-N
XLogP4.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-iodophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 3608675
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 91689036
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 91689078) is N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(Br)cc2N)cc(C)c1Cl.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is QJFORIAKNHXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2/c1-9-5-12(6-10(2)16(9)18)22-8-15(21)20-14-4-3-11(17)7-13(14)19/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 383.67 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 91689078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).