N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide

C12H14BrFN2O — CID 65188915

IUPACN-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
SMILESNCC(NC(=O)c1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrFN2O/c13-9-3-8(4-10(14)5-9)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyNKDWEHUHHXPYJB-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.06
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide

N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide (PubChem CID 65188915) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
PubChem CID65188915
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
SMILESNCC(NC(=O)c1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrFN2O/c13-9-3-8(4-10(14)5-9)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyNKDWEHUHHXPYJB-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
N-(2-amino-1-cyclopropylethyl)-7-bromo-1,3-benzodioxole-5-carboxamide
CID 119617085
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide (CID 65188915) is N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide is NCC(NC(=O)c1cc(F)cc(Br)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide?
The InChIKey is NKDWEHUHHXPYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-3-8(4-10(14)5-9)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide?
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide has a molecular weight of 301.16 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide is sourced from PubChem (CID 65188915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).