N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H18Cl2N2O2 — CID 50881877

IUPACN-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-10(2)11-3-5-12(6-4-11)23-9-17(22)21-16-8-13(18)15(20)7-14(16)19/h3-8,10H,9,20H2,1-2H3,(H,21,22)
InChIKeySRHXLIAOODAQKB-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.72
Rot. Bonds5

About N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 50881877) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID50881877
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-10(2)11-3-5-12(6-4-11)23-9-17(22)21-16-8-13(18)15(20)7-14(16)19/h3-8,10H,9,20H2,1-2H3,(H,21,22)
InChIKeySRHXLIAOODAQKB-UHFFFAOYSA-N
XLogP4.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.72
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-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618694
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 50881877) is N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cc(Cl)c(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is SRHXLIAOODAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-10(2)11-3-5-12(6-4-11)23-9-17(22)21-16-8-13(18)15(20)7-14(16)19/h3-8,10H,9,20H2,1-2H3,(H,21,22).
What are the key properties of N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 353.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 50881877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).