5-amino-2-butan-2-yloxy-3-chlorobenzamide

C11H15ClN2O2 — CID 107197693

IUPAC5-amino-2-butan-2-yloxy-3-chlorobenzamide
SMILESCCC(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-3-6(2)16-10-8(11(14)15)4-7(13)5-9(10)12/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyDSMYXRQEDGUKIR-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.20
Rot. Bonds4

About 5-amino-2-butan-2-yloxy-3-chlorobenzamide

5-amino-2-butan-2-yloxy-3-chlorobenzamide (PubChem CID 107197693) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-amino-2-butan-2-yloxy-3-chlorobenzamide.

Molecular Properties

Compound Name5-amino-2-butan-2-yloxy-3-chlorobenzamide
PubChem CID107197693
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-amino-2-butan-2-yloxy-3-chlorobenzamide
SMILESCCC(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-3-6(2)16-10-8(11(14)15)4-7(13)5-9(10)12/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyDSMYXRQEDGUKIR-UHFFFAOYSA-N
XLogP2.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-pentan-2-yloxybenzamide
CID 107198235
5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
CID 107198027
ethyl 5-amino-3-chloro-2-(4-methylpentan-2-yloxy)benzoate
CID 107197294
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154
5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
CID 107198568

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butan-2-yloxy-3-chlorobenzamide?
The IUPAC name of 5-amino-2-butan-2-yloxy-3-chlorobenzamide (CID 107197693) is 5-amino-2-butan-2-yloxy-3-chlorobenzamide.
What is the SMILES notation for 5-amino-2-butan-2-yloxy-3-chlorobenzamide?
The canonical SMILES for 5-amino-2-butan-2-yloxy-3-chlorobenzamide is CCC(C)Oc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-butan-2-yloxy-3-chlorobenzamide?
The InChIKey is DSMYXRQEDGUKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-6(2)16-10-8(11(14)15)4-7(13)5-9(10)12/h4-6H,3,13H2,1-2H3,(H2,14,15).
What are the key properties of 5-amino-2-butan-2-yloxy-3-chlorobenzamide?
5-amino-2-butan-2-yloxy-3-chlorobenzamide has a molecular weight of 242.71 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butan-2-yloxy-3-chlorobenzamide is sourced from PubChem (CID 107197693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).