N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide

C10H8Cl2F3NO2 — CID 104625918

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H8Cl2F3NO2/c11-5-3-6(12)9(18)7(4-5)16-8(17)1-2-10(13,14)15/h3-4,18H,1-2H2,(H,16,17)
InChIKeyKXXPWEOGAKQYAA-UHFFFAOYSA-N
MW302.08 g/mol
LogP3.98
Rot. Bonds3

About N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide

N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide (PubChem CID 104625918) has the molecular formula C10H8Cl2F3NO2 and a molecular weight of 302.08 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide
PubChem CID104625918
Molecular FormulaC10H8Cl2F3NO2
Molecular Weight302.08 g/mol
Exact Mass300.99
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H8Cl2F3NO2/c11-5-3-6(12)9(18)7(4-5)16-8(17)1-2-10(13,14)15/h3-4,18H,1-2H2,(H,16,17)
InChIKeyKXXPWEOGAKQYAA-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
CID 54262088
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide (CID 104625918) is N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide?
The InChIKey is KXXPWEOGAKQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO2/c11-5-3-6(12)9(18)7(4-5)16-8(17)1-2-10(13,14)15/h3-4,18H,1-2H2,(H,16,17).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide?
N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide has a molecular weight of 302.08 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 104625918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).