5-amino-3-chloro-2-pentan-2-yloxybenzamide

C12H17ClN2O2 — CID 107198235

IUPAC5-amino-3-chloro-2-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-7(2)17-11-9(12(15)16)5-8(14)6-10(11)13/h5-7H,3-4,14H2,1-2H3,(H2,15,16)
InChIKeyUYBKFDKSOOQMFU-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.59
Rot. Bonds5

About 5-amino-3-chloro-2-pentan-2-yloxybenzamide

5-amino-3-chloro-2-pentan-2-yloxybenzamide (PubChem CID 107198235) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-pentan-2-yloxybenzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-pentan-2-yloxybenzamide
PubChem CID107198235
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-amino-3-chloro-2-pentan-2-yloxybenzamide
SMILESCCCC(C)Oc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-7(2)17-11-9(12(15)16)5-8(14)6-10(11)13/h5-7H,3-4,14H2,1-2H3,(H2,15,16)
InChIKeyUYBKFDKSOOQMFU-UHFFFAOYSA-N
XLogP2.59
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.59
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-(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-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
CID 102980777
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-pentan-2-yloxybenzamide?
The IUPAC name of 5-amino-3-chloro-2-pentan-2-yloxybenzamide (CID 107198235) is 5-amino-3-chloro-2-pentan-2-yloxybenzamide.
What is the SMILES notation for 5-amino-3-chloro-2-pentan-2-yloxybenzamide?
The canonical SMILES for 5-amino-3-chloro-2-pentan-2-yloxybenzamide is CCCC(C)Oc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-pentan-2-yloxybenzamide?
The InChIKey is UYBKFDKSOOQMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-4-7(2)17-11-9(12(15)16)5-8(14)6-10(11)13/h5-7H,3-4,14H2,1-2H3,(H2,15,16).
What are the key properties of 5-amino-3-chloro-2-pentan-2-yloxybenzamide?
5-amino-3-chloro-2-pentan-2-yloxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 2.59, 5 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-pentan-2-yloxybenzamide is sourced from PubChem (CID 107198235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).