N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide

C18H21ClN2O2 — CID 91688991

IUPACN-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11,20H2,1-3H3,(H,21,22)
InChIKeySRRQCTOTCFVNEZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.24
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide

N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 91688991) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID91688991
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11,20H2,1-3H3,(H,21,22)
InChIKeySRRQCTOTCFVNEZ-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.24
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

2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 61229132
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide (CID 91688991) is N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is SRRQCTOTCFVNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,3)12-4-7-14(8-5-12)23-11-17(22)21-16-9-6-13(19)10-15(16)20/h4-10H,11,20H2,1-3H3,(H,21,22).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.24, 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-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 91688991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).