N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide

C15H14BrClN2O2 — CID 91689036

IUPACN-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCc1cc(N)c(NC(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-9-6-13(18)14(7-12(9)17)19-15(20)8-21-11-4-2-10(16)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWHKADWKWYAKPOE-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.01
Rot. Bonds4

About N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide

N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide (PubChem CID 91689036) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
PubChem CID91689036
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCc1cc(N)c(NC(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-9-6-13(18)14(7-12(9)17)19-15(20)8-21-11-4-2-10(16)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWHKADWKWYAKPOE-UHFFFAOYSA-N
XLogP4.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.01
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-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 91689078
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141449
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028460
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide (CID 91689036) is N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide is Cc1cc(N)c(NC(=O)COc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is WHKADWKWYAKPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-9-6-13(18)14(7-12(9)17)19-15(20)8-21-11-4-2-10(16)3-5-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 369.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 91689036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).