N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide

C18H20ClNO2 — CID 2632006

IUPACN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)12-22-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUJMYRPSOWMUZPL-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.66
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide

N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 2632006) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID2632006
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)12-22-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyUJMYRPSOWMUZPL-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
2-(4-chlorophenoxy)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 60728567
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
N-[2-(1-bromoethyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 114315608
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide (CID 2632006) is N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide is CC(C)(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is UJMYRPSOWMUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-18(2,3)15-6-4-5-7-16(15)20-17(21)12-22-14-10-8-13(19)9-11-14/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide?
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2632006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).