4,4,4-trichloro-3-hydroxy-N-phenylbutanamide

C10H10Cl3NO2 — CID 5000265

IUPAC4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
SMILESO=C(CC(O)C(Cl)(Cl)Cl)Nc1ccccc1
InChIInChI=1S/C10H10Cl3NO2/c11-10(12,13)8(15)6-9(16)14-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)
InChIKeyAPOFPCLVKWHVJV-UHFFFAOYSA-N
MW282.55 g/mol
LogP2.75
Rot. Bonds3

About 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide

4,4,4-trichloro-3-hydroxy-N-phenylbutanamide (PubChem CID 5000265) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
PubChem CID5000265
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
SMILESO=C(CC(O)C(Cl)(Cl)Cl)Nc1ccccc1
InChIInChI=1S/C10H10Cl3NO2/c11-10(12,13)8(15)6-9(16)14-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)
InChIKeyAPOFPCLVKWHVJV-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 52.75
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

(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
(2S)-4-anilino-2-azaniumyl-4-oxobutanoate
CID 7060602
3-amino-N-phenylpentanamide
CID 79006475
3-(furan-2-yl)-3-hydroxy-N-phenylpropanamide
CID 78165450
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide?
The IUPAC name of 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide (CID 5000265) is 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide.
What is the SMILES notation for 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide?
The canonical SMILES for 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide is O=C(CC(O)C(Cl)(Cl)Cl)Nc1ccccc1.
What is the InChIKey of 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide?
The InChIKey is APOFPCLVKWHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2/c11-10(12,13)8(15)6-9(16)14-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16).
What are the key properties of 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide?
4,4,4-trichloro-3-hydroxy-N-phenylbutanamide has a molecular weight of 282.55 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trichloro-3-hydroxy-N-phenylbutanamide is sourced from PubChem (CID 5000265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).