N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide

C14H18BrClN2O — CID 106737470

IUPACN-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
SMILESNCC(NC(=O)c1cccc(Br)c1Cl)C1CCCC1
InChIInChI=1S/C14H18BrClN2O/c15-11-7-3-6-10(13(11)16)14(19)18-12(8-17)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2,(H,18,19)
InChIKeyLANYAZAGNMIYER-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.35
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide

N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide (PubChem CID 106737470) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
PubChem CID106737470
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
SMILESNCC(NC(=O)c1cccc(Br)c1Cl)C1CCCC1
InChIInChI=1S/C14H18BrClN2O/c15-11-7-3-6-10(13(11)16)14(19)18-12(8-17)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2,(H,18,19)
InChIKeyLANYAZAGNMIYER-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
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)quinoline-5-carboxamide
CID 106737604
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide (CID 106737470) is N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide is NCC(NC(=O)c1cccc(Br)c1Cl)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide?
The InChIKey is LANYAZAGNMIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-11-7-3-6-10(13(11)16)14(19)18-12(8-17)9-4-1-2-5-9/h3,6-7,9,12H,1-2,4-5,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide?
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide has a molecular weight of 345.67 g/mol, XLogP of 3.35, 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)-3-bromo-2-chlorobenzamide is sourced from PubChem (CID 106737470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).