N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide

C14H19BrN2O2 — CID 106737241

IUPACN-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
SMILESNCC(NC(=O)c1ccc(Br)cc1O)C1CCCC1
InChIInChI=1S/C14H19BrN2O2/c15-10-5-6-11(13(18)7-10)14(19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,18H,1-4,8,16H2,(H,17,19)
InChIKeyNTTOZUOSMCSHOQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide

N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide (PubChem CID 106737241) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
PubChem CID106737241
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
SMILESNCC(NC(=O)c1ccc(Br)cc1O)C1CCCC1
InChIInChI=1S/C14H19BrN2O2/c15-10-5-6-11(13(18)7-10)14(19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,18H,1-4,8,16H2,(H,17,19)
InChIKeyNTTOZUOSMCSHOQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopentylethyl)-2,5-dimethylfuran-3-carboxamide
CID 106737497
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(1-cyclohexylpropyl)-2-hydroxy-4-methylbenzamide
CID 63527141

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide (CID 106737241) is N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide is NCC(NC(=O)c1ccc(Br)cc1O)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide?
The InChIKey is NTTOZUOSMCSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-10-5-6-11(13(18)7-10)14(19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,18H,1-4,8,16H2,(H,17,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide?
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 106737241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).