N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide

C12H14BrFN2O — CID 65188732

IUPACN-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
SMILESNCC(NC(=O)c1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H14BrFN2O/c13-9-4-3-8(5-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyWEFGLLLNYBWJRS-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.06
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide

N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide (PubChem CID 65188732) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
PubChem CID65188732
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
SMILESNCC(NC(=O)c1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H14BrFN2O/c13-9-4-3-8(5-10(9)14)12(17)16-11(6-15)7-1-2-7/h3-5,7,11H,1-2,6,15H2,(H,16,17)
InChIKeyWEFGLLLNYBWJRS-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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
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3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
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N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide (CID 65188732) is N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide is NCC(NC(=O)c1ccc(Br)c(F)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide?
The InChIKey is WEFGLLLNYBWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-4-3-8(5-10(9)14)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)-4-bromo-3-fluorobenzamide?
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-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)-4-bromo-3-fluorobenzamide is sourced from PubChem (CID 65188732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).