4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide

C11H14ClNO2 — CID 67664760

IUPAC4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide
SMILESNC(=O)C(CO)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-5-2-8(3-6-10)1-4-9(7-14)11(13)15/h2-3,5-6,9,14H,1,4,7H2,(H2,13,15)
InChIKeyTXLPCBXSOLHRTL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.37
Rot. Bonds5

About 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide

4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide (PubChem CID 67664760) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide
PubChem CID67664760
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide
SMILESNC(=O)C(CO)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-10-5-2-8(3-6-10)1-4-9(7-14)11(13)15/h2-3,5-6,9,14H,1,4,7H2,(H2,13,15)
InChIKeyTXLPCBXSOLHRTL-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide (CID 67664760) is 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide is NC(=O)C(CO)CCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide?
The InChIKey is TXLPCBXSOLHRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10-5-2-8(3-6-10)1-4-9(7-14)11(13)15/h2-3,5-6,9,14H,1,4,7H2,(H2,13,15).
What are the key properties of 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide?
4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide has a molecular weight of 227.69 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 67664760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).