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

C15H21BrN2O — CID 79362346

IUPAC4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc(N)c(Br)c2)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-11(17)10(16)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19)
InChIKeySHFWQQCGBUIROS-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.44
Rot. Bonds3

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

4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 79362346) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID79362346
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccc(N)c(Br)c2)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-11(17)10(16)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19)
InChIKeySHFWQQCGBUIROS-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

3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79352767
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
3-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 79356881
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359617
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011768
4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
CID 79360136

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 79362346) is 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2ccc(N)c(Br)c2)C1(C)C.
What is the InChIKey of 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is SHFWQQCGBUIROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-14(2)12(15(14,3)4)8-18-13(19)9-5-6-11(17)10(16)7-9/h5-7,12H,8,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
4-amino-3-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 4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 79362346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).