3-amino-2-bromo-N-(5-hydroxypentyl)benzamide

C12H17BrN2O2 — CID 107316301

IUPAC3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
SMILESNc1cccc(C(=O)NCCCCCO)c1Br
InChIInChI=1S/C12H17BrN2O2/c13-11-9(5-4-6-10(11)14)12(17)15-7-2-1-3-8-16/h4-6,16H,1-3,7-8,14H2,(H,15,17)
InChIKeyUMIIUHOHCYHPTJ-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds6

About 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide

3-amino-2-bromo-N-(5-hydroxypentyl)benzamide (PubChem CID 107316301) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
PubChem CID107316301
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
SMILESNc1cccc(C(=O)NCCCCCO)c1Br
InChIInChI=1S/C12H17BrN2O2/c13-11-9(5-4-6-10(11)14)12(17)15-7-2-1-3-8-16/h4-6,16H,1-3,7-8,14H2,(H,15,17)
InChIKeyUMIIUHOHCYHPTJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
3-amino-2-bromo-N-pent-4-ynylbenzamide
CID 106219842
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
2,3-diamino-N-hexadecylbenzamide
CID 68850287

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide (CID 107316301) is 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide is Nc1cccc(C(=O)NCCCCCO)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide?
The InChIKey is UMIIUHOHCYHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-11-9(5-4-6-10(11)14)12(17)15-7-2-1-3-8-16/h4-6,16H,1-3,7-8,14H2,(H,15,17).
What are the key properties of 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide?
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107316301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).