4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide

C12H16ClNO2 — CID 63307779

IUPAC4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCCl)c(C)c1O
InChIInChI=1S/C12H16ClNO2/c1-8-5-6-10(9(2)12(8)16)14-11(15)4-3-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVELXCOVEXHFDPQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide

4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide (PubChem CID 63307779) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
PubChem CID63307779
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCCl)c(C)c1O
InChIInChI=1S/C12H16ClNO2/c1-8-5-6-10(9(2)12(8)16)14-11(15)4-3-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVELXCOVEXHFDPQ-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868294
N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxyacetamide
CID 64590774
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
CID 54877724
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
2-(3-chlorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 122133355
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
2-(4-aminopiperidin-1-yl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 79327471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide (CID 63307779) is 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide is Cc1ccc(NC(=O)CCCCl)c(C)c1O.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The InChIKey is VELXCOVEXHFDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-6-10(9(2)12(8)16)14-11(15)4-3-7-13/h5-6,16H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide has a molecular weight of 241.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 63307779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).