N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide

C12H14Br2N2O — CID 107940139

IUPACN-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
SMILESNC(CNC(=O)c1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C12H14Br2N2O/c13-8-3-4-9(10(14)5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyQAXZOZVYQVMRHB-UHFFFAOYSA-N
MW362.07 g/mol
LogP2.68
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide

N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide (PubChem CID 107940139) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
PubChem CID107940139
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
SMILESNC(CNC(=O)c1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C12H14Br2N2O/c13-8-3-4-9(10(14)5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyQAXZOZVYQVMRHB-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
CID 113282155
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
CID 115301004
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide (CID 107940139) is N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide is NC(CNC(=O)c1ccc(Br)cc1Br)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide?
The InChIKey is QAXZOZVYQVMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-8-3-4-9(10(14)5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide?
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide has a molecular weight of 362.07 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide is sourced from PubChem (CID 107940139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).