2,2-dichloro-4-hydroxy-N-phenylbutanamide

C10H11Cl2NO2 — CID 23345439

IUPAC2,2-dichloro-4-hydroxy-N-phenylbutanamide
SMILESO=C(Nc1ccccc1)C(Cl)(Cl)CCO
InChIInChI=1S/C10H11Cl2NO2/c11-10(12,6-7-14)9(15)13-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15)
InChIKeyYMDRVMGDBGSNQM-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.18
Rot. Bonds4

About 2,2-dichloro-4-hydroxy-N-phenylbutanamide

2,2-dichloro-4-hydroxy-N-phenylbutanamide (PubChem CID 23345439) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2,2-dichloro-4-hydroxy-N-phenylbutanamide.

Molecular Properties

Compound Name2,2-dichloro-4-hydroxy-N-phenylbutanamide
PubChem CID23345439
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2,2-dichloro-4-hydroxy-N-phenylbutanamide
SMILESO=C(Nc1ccccc1)C(Cl)(Cl)CCO
InChIInChI=1S/C10H11Cl2NO2/c11-10(12,6-7-14)9(15)13-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15)
InChIKeyYMDRVMGDBGSNQM-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.18
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

2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
CID 40544089
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
2-bromo-4,4,4-trifluoro-N,2-diphenylbutanamide
CID 138964215

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4-hydroxy-N-phenylbutanamide?
The IUPAC name of 2,2-dichloro-4-hydroxy-N-phenylbutanamide (CID 23345439) is 2,2-dichloro-4-hydroxy-N-phenylbutanamide.
What is the SMILES notation for 2,2-dichloro-4-hydroxy-N-phenylbutanamide?
The canonical SMILES for 2,2-dichloro-4-hydroxy-N-phenylbutanamide is O=C(Nc1ccccc1)C(Cl)(Cl)CCO.
What is the InChIKey of 2,2-dichloro-4-hydroxy-N-phenylbutanamide?
The InChIKey is YMDRVMGDBGSNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-10(12,6-7-14)9(15)13-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15).
What are the key properties of 2,2-dichloro-4-hydroxy-N-phenylbutanamide?
2,2-dichloro-4-hydroxy-N-phenylbutanamide has a molecular weight of 248.11 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4-hydroxy-N-phenylbutanamide is sourced from PubChem (CID 23345439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).