5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide

C12H16Cl2N2O2 — CID 107185931

IUPAC5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-6(2)10(17)5-16-12(18)8-3-7(15)4-9(13)11(8)14/h3-4,6,10,17H,5,15H2,1-2H3,(H,16,18)
InChIKeyGTJLXEBNVPYUCO-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.32
Rot. Bonds4

About 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide

5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide (PubChem CID 107185931) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
PubChem CID107185931
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-6(2)10(17)5-16-12(18)8-3-7(15)4-9(13)11(8)14/h3-4,6,10,17H,5,15H2,1-2H3,(H,16,18)
InChIKeyGTJLXEBNVPYUCO-UHFFFAOYSA-N
XLogP2.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 114092848
2,3-dichloro-N-(2-hydroxy-3-methylbutyl)-5-nitrobenzamide
CID 107189473
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
3-hydroxybutyl 5-amino-2,3-dichlorobenzoate
CID 107199119
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide (CID 107185931) is 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide is CC(C)C(O)CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide?
The InChIKey is GTJLXEBNVPYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-6(2)10(17)5-16-12(18)8-3-7(15)4-9(13)11(8)14/h3-4,6,10,17H,5,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide?
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide has a molecular weight of 291.18 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 107185931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).