3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C15H21BrN2O — CID 79352767

IUPAC3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)c(N)c2)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-10(16)11(17)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19)
InChIKeyVZHRKCYOOBGIEX-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.44
Rot. Bonds3

About 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 79352767) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID79352767
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc(Br)c(N)c2)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-10(16)11(17)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19)
InChIKeyVZHRKCYOOBGIEX-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
3-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 79356881
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
3-amino-4-bromo-N-(3-ethylsulfanylpropyl)benzamide
CID 114247757
3-amino-4-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81041972

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 79352767) is 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2ccc(Br)c(N)c2)C1(C)C.
What is the InChIKey of 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is VZHRKCYOOBGIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-10(16)11(17)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 79352767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).