2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide

C13H19ClN2O2 — CID 114007983

IUPAC2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H19ClN2O2/c14-10-5-6-12(15)11(9-10)13(18)16-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,15H2,(H,16,18)
InChIKeyFGMLFBVTXGXTPS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide

2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide (PubChem CID 114007983) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
PubChem CID114007983
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H19ClN2O2/c14-10-5-6-12(15)11(9-10)13(18)16-7-3-1-2-4-8-17/h5-6,9,17H,1-4,7-8,15H2,(H,16,18)
InChIKeyFGMLFBVTXGXTPS-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.20
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-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
CID 115597357
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
CID 16778185
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-amino-3-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide (CID 114007983) is 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide is Nc1ccc(Cl)cc1C(=O)NCCCCCCO.
What is the InChIKey of 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide?
The InChIKey is FGMLFBVTXGXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-10-5-6-12(15)11(9-10)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 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide?
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide is sourced from PubChem (CID 114007983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).