2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide

C12H14Br2N2O — CID 89420130

IUPAC2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)cc(Br)c1N)C1CC1
InChIInChI=1S/C12H14Br2N2O/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(14)11(9)15/h4-7H,2-3,15H2,1H3,(H,16,17)
InChIKeyLRCNFMBNIRWORQ-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.32
Rot. Bonds3

About 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide

2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide (PubChem CID 89420130) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
PubChem CID89420130
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)cc(Br)c1N)C1CC1
InChIInChI=1S/C12H14Br2N2O/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(14)11(9)15/h4-7H,2-3,15H2,1H3,(H,16,17)
InChIKeyLRCNFMBNIRWORQ-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.32
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-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670
3,5-dibromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 75522226
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62406728
3-bromo-5-chloro-1-N-(1-cyclopropylethyl)benzene-1,2-dicarboxamide
CID 67501640
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide (CID 89420130) is 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide is CC(NC(=O)c1cc(Br)cc(Br)c1N)C1CC1.
What is the InChIKey of 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide?
The InChIKey is LRCNFMBNIRWORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c1-6(7-2-3-7)16-12(17)9-4-8(13)5-10(14)11(9)15/h4-7H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide?
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide has a molecular weight of 362.07 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide is sourced from PubChem (CID 89420130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).