2-amino-4-bromo-N-(2-hydroxypentyl)benzamide

C12H17BrN2O2 — CID 113495833

IUPAC2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyFGOAPFRXGOPWAJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide

2-amino-4-bromo-N-(2-hydroxypentyl)benzamide (PubChem CID 113495833) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
PubChem CID113495833
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyFGOAPFRXGOPWAJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
6-amino-N-(2-hydroxypentyl)-1,3-benzodioxole-5-carboxamide
CID 103543433
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 79719377
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide (CID 113495833) is 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide is CCCC(O)CNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide?
The InChIKey is FGOAPFRXGOPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide?
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-hydroxypentyl)benzamide is sourced from PubChem (CID 113495833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).