N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide

C12H14BrClN2O — CID 113282173

IUPACN-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
SMILESNC(CNC(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C12H14BrClN2O/c13-8-3-4-10(14)9(5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyXSVNPXKPNBSMLV-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.57
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide

N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide (PubChem CID 113282173) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
PubChem CID113282173
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
SMILESNC(CNC(=O)c1cc(Br)ccc1Cl)C1CC1
InChIInChI=1S/C12H14BrClN2O/c13-8-3-4-10(14)9(5-8)12(17)16-6-11(15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyXSVNPXKPNBSMLV-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
CID 113282155
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
CID 115301113
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide (CID 113282173) is N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide is NC(CNC(=O)c1cc(Br)ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide?
The InChIKey is XSVNPXKPNBSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-8-3-4-10(14)9(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)-5-bromo-2-chlorobenzamide?
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide has a molecular weight of 317.61 g/mol, XLogP of 2.57, 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)-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 113282173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).