N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide

C14H20ClNO3 — CID 106502163

IUPACN-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
SMILESCCCCOCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-2-3-8-19-9-4-7-16-14(18)12-10-11(17)5-6-13(12)15/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyJKTUCQIGBIISKW-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.98
Rot. Bonds8

About N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide

N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide (PubChem CID 106502163) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
PubChem CID106502163
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
SMILESCCCCOCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-2-3-8-19-9-4-7-16-14(18)12-10-11(17)5-6-13(12)15/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyJKTUCQIGBIISKW-UHFFFAOYSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide (CID 106502163) is N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide is CCCCOCCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is JKTUCQIGBIISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-3-8-19-9-4-7-16-14(18)12-10-11(17)5-6-13(12)15/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide?
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106502163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).