N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide

C14H17BrF2N2O — CID 106737293

IUPACN-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
SMILESNCC(NC(=O)c1c(F)cc(Br)cc1F)C1CCCC1
InChIInChI=1S/C14H17BrF2N2O/c15-9-5-10(16)13(11(17)6-9)14(20)19-12(7-18)8-3-1-2-4-8/h5-6,8,12H,1-4,7,18H2,(H,19,20)
InChIKeyKOZFSPCJQIWXNA-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.97
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide

N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide (PubChem CID 106737293) has the molecular formula C14H17BrF2N2O and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
PubChem CID106737293
Molecular FormulaC14H17BrF2N2O
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
SMILESNCC(NC(=O)c1c(F)cc(Br)cc1F)C1CCCC1
InChIInChI=1S/C14H17BrF2N2O/c15-9-5-10(16)13(11(17)6-9)14(20)19-12(7-18)8-3-1-2-4-8/h5-6,8,12H,1-4,7,18H2,(H,19,20)
InChIKeyKOZFSPCJQIWXNA-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
CID 119592223
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
N-(2-amino-1-cyclopentylethyl)-5-bromofuran-2-carboxamide
CID 106737570
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide (CID 106737293) is N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide is NCC(NC(=O)c1c(F)cc(Br)cc1F)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide?
The InChIKey is KOZFSPCJQIWXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O/c15-9-5-10(16)13(11(17)6-9)14(20)19-12(7-18)8-3-1-2-4-8/h5-6,8,12H,1-4,7,18H2,(H,19,20).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide?
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide has a molecular weight of 347.20 g/mol, XLogP of 2.97, 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-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide is sourced from PubChem (CID 106737293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).