5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide

C12H17ClN2O2 — CID 107198027

IUPAC5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
SMILESCC(C)C(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-6(2)7(3)17-11-9(12(15)16)4-8(14)5-10(11)13/h4-7H,14H2,1-3H3,(H2,15,16)
InChIKeyUYRPANNNGDTHPJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.44
Rot. Bonds4

About 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide

5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide (PubChem CID 107198027) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
PubChem CID107198027
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
SMILESCC(C)C(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-6(2)7(3)17-11-9(12(15)16)4-8(14)5-10(11)13/h4-7H,14H2,1-3H3,(H2,15,16)
InChIKeyUYRPANNNGDTHPJ-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.44
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-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
5-amino-3-chloro-2-pentan-2-yloxybenzamide
CID 107198235
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154
5-amino-2,3-dichlorobenzamide
CID 107183127
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
ethyl 5-amino-3-chloro-2-(4-methylpentan-2-yloxy)benzoate
CID 107197294
5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235
5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide
CID 107198052
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
(4-amino-2,6-dichlorophenyl) methyl carbonate
CID 131111049
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide (CID 107198027) is 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide is CC(C)C(C)Oc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide?
The InChIKey is UYRPANNNGDTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-6(2)7(3)17-11-9(12(15)16)4-8(14)5-10(11)13/h4-7H,14H2,1-3H3,(H2,15,16).
What are the key properties of 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide?
5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide is sourced from PubChem (CID 107198027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).