4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide

C13H19BrN2O2 — CID 114007895

IUPAC4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
SMILESNc1ccc(C(=O)NCCCCCCO)cc1Br
InChIInChI=1S/C13H19BrN2O2/c14-11-9-10(5-6-12(11)15)13(18)16-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,15H2,(H,16,18)
InChIKeyHFXQYPYDESXQTD-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.31
Rot. Bonds7

About 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide

4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide (PubChem CID 114007895) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
PubChem CID114007895
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
SMILESNc1ccc(C(=O)NCCCCCCO)cc1Br
InChIInChI=1S/C13H19BrN2O2/c14-11-9-10(5-6-12(11)15)13(18)16-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,15H2,(H,16,18)
InChIKeyHFXQYPYDESXQTD-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.31
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

3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
4-amino-3-methyl-N-octylbenzamide
CID 115565914
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide (CID 114007895) is 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide is Nc1ccc(C(=O)NCCCCCCO)cc1Br.
What is the InChIKey of 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide?
The InChIKey is HFXQYPYDESXQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c14-11-9-10(5-6-12(11)15)13(18)16-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,15H2,(H,16,18).
What are the key properties of 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide?
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide has a molecular weight of 315.21 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide is sourced from PubChem (CID 114007895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).