3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide

C19H22ClNO2 — CID 2408222

IUPAC3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)14-7-9-17(10-8-14)23-12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyWXXORBOPIJQHLJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.05
Rot. Bonds5

About 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide

3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide (PubChem CID 2408222) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
PubChem CID2408222
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO2/c1-19(2,3)14-7-9-17(10-8-14)23-12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyWXXORBOPIJQHLJ-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
4-(4-tert-butylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 18229409
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9328974
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide (CID 2408222) is 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide is CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide?
The InChIKey is WXXORBOPIJQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-19(2,3)14-7-9-17(10-8-14)23-12-11-18(22)21-16-6-4-5-15(20)13-16/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide?
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide has a molecular weight of 331.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 2408222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).