N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide

C18H21ClN2O2 — CID 91689044

IUPACN-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-9-13(10-8-12)23-11-16(22)21-17-14(19)5-4-6-15(17)20/h4-10H,11,20H2,1-3H3,(H,21,22)
InChIKeyNCBORUNCEPJAJB-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.24
Rot. Bonds4

About N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide

N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 91689044) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID91689044
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-9-13(10-8-12)23-11-16(22)21-17-14(19)5-4-6-15(17)20/h4-10H,11,20H2,1-3H3,(H,21,22)
InChIKeyNCBORUNCEPJAJB-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

N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 17098726
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3286978
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
CID 11710214
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide (CID 91689044) is N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is NCBORUNCEPJAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-9-13(10-8-12)23-11-16(22)21-17-14(19)5-4-6-15(17)20/h4-10H,11,20H2,1-3H3,(H,21,22).
What are the key properties of N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(2-amino-6-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-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 91689044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).