N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide

C15H15ClN2O2 — CID 16789348

IUPACN-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyBYIQRNYXMXZEBM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.25
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 16789348) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID16789348
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyBYIQRNYXMXZEBM-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218208
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 16789348) is N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is BYIQRNYXMXZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-8-11(16)2-7-14(10)20-9-15(19)18-13-5-3-12(17)4-6-13/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 290.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 16789348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).