2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide

C15H21ClN2O2 — CID 64850745

IUPAC2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCCOC1CC(Nc2ccc(C(N)=O)c(Cl)c2)C1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-4-20-13-8-12(15(13,2)3)18-9-5-6-10(14(17)19)11(16)7-9/h5-7,12-13,18H,4,8H2,1-3H3,(H2,17,19)
InChIKeyUXIBRGAZOLYJHR-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide

2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide (PubChem CID 64850745) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
PubChem CID64850745
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
SMILESCCOC1CC(Nc2ccc(C(N)=O)c(Cl)c2)C1(C)C
InChIInChI=1S/C15H21ClN2O2/c1-4-20-13-8-12(15(13,2)3)18-9-5-6-10(14(17)19)11(16)7-9/h5-7,12-13,18H,4,8H2,1-3H3,(H2,17,19)
InChIKeyUXIBRGAZOLYJHR-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide (CID 64850745) is 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide is CCOC1CC(Nc2ccc(C(N)=O)c(Cl)c2)C1(C)C.
What is the InChIKey of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide?
The InChIKey is UXIBRGAZOLYJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-20-13-8-12(15(13,2)3)18-9-5-6-10(14(17)19)11(16)7-9/h5-7,12-13,18H,4,8H2,1-3H3,(H2,17,19).
What are the key properties of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide?
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide has a molecular weight of 296.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide is sourced from PubChem (CID 64850745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).