2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide

C16H16ClNO3 — CID 51166464

IUPAC2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H16ClNO3/c1-10-3-8-14(15(19)9-10)18-16(20)11(2)21-13-6-4-12(17)5-7-13/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyUFXJQCWUOBPNGG-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide

2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 51166464) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID51166464
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C16H16ClNO3/c1-10-3-8-14(15(19)9-10)18-16(20)11(2)21-13-6-4-12(17)5-7-13/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeyUFXJQCWUOBPNGG-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
[2-[2-(4-chlorophenoxy)propanoylamino]-4-methylphenyl] acetate
CID 17361233
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide (CID 51166464) is 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is UFXJQCWUOBPNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-3-8-14(15(19)9-10)18-16(20)11(2)21-13-6-4-12(17)5-7-13/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide?
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 305.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 51166464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).