4-(4-chloro-2-methylphenoxy)butanamide

C11H14ClNO2 — CID 2287730

IUPAC4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(N)=O
InChIInChI=1S/C11H14ClNO2/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H2,13,14)
InChIKeyMRZSRYIVJFRQCE-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.29
Rot. Bonds5

About 4-(4-chloro-2-methylphenoxy)butanamide

4-(4-chloro-2-methylphenoxy)butanamide (PubChem CID 2287730) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)butanamide
PubChem CID2287730
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(N)=O
InChIInChI=1S/C11H14ClNO2/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H2,13,14)
InChIKeyMRZSRYIVJFRQCE-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)butanamide (CID 2287730) is 4-(4-chloro-2-methylphenoxy)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)butanamide is Cc1cc(Cl)ccc1OCCCC(N)=O.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)butanamide?
The InChIKey is MRZSRYIVJFRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H2,13,14).
What are the key properties of 4-(4-chloro-2-methylphenoxy)butanamide?
4-(4-chloro-2-methylphenoxy)butanamide has a molecular weight of 227.69 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)butanamide is sourced from PubChem (CID 2287730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).