3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

C9H6Cl2F3NO2 — CID 15906509

IUPAC3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESO=C(NC(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H6Cl2F3NO2/c10-5-1-4(2-6(11)3-5)7(16)15-8(17)9(12,13)14/h1-3,8,17H,(H,15,16)
InChIKeyRBDDGKHNWBLYHC-UHFFFAOYSA-N
MW288.05 g/mol
LogP2.60
Rot. Bonds2

About 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (PubChem CID 15906509) has the molecular formula C9H6Cl2F3NO2 and a molecular weight of 288.05 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
PubChem CID15906509
Molecular FormulaC9H6Cl2F3NO2
Molecular Weight288.05 g/mol
Exact Mass286.97
IUPAC Name3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESO=C(NC(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H6Cl2F3NO2/c10-5-1-4(2-6(11)3-5)7(16)15-8(17)9(12,13)14/h1-3,8,17H,(H,15,16)
InChIKeyRBDDGKHNWBLYHC-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzamide;4-chloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide;trichlorophosphane
CID 160762926
methyl (2S,3S)-2-[(3,5-dichlorobenzoyl)amino]-3-hydroxybutanoate
CID 124571933
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
3,5-dichlorobenzohydrazide
CID 2735966
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
1-(3,5-dichlorophenyl)-4,4,6,6,6-pentafluoro-5-(trifluoromethyl)hexane-1,3-dione
CID 19961364
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (CID 15906509) is 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is O=C(NC(O)C(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The InChIKey is RBDDGKHNWBLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO2/c10-5-1-4(2-6(11)3-5)7(16)15-8(17)9(12,13)14/h1-3,8,17H,(H,15,16).
What are the key properties of 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide has a molecular weight of 288.05 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is sourced from PubChem (CID 15906509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).