N-(4-chlorobutyl)-2,5-dihydroxybenzamide

C11H14ClNO3 — CID 107726261

IUPACN-(4-chlorobutyl)-2,5-dihydroxybenzamide
SMILESO=C(NCCCCCl)c1cc(O)ccc1O
InChIInChI=1S/C11H14ClNO3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyGUOAPHSBXCMSBX-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.85
Rot. Bonds5

About N-(4-chlorobutyl)-2,5-dihydroxybenzamide

N-(4-chlorobutyl)-2,5-dihydroxybenzamide (PubChem CID 107726261) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2,5-dihydroxybenzamide
PubChem CID107726261
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-(4-chlorobutyl)-2,5-dihydroxybenzamide
SMILESO=C(NCCCCCl)c1cc(O)ccc1O
InChIInChI=1S/C11H14ClNO3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,14-15H,1-2,5-6H2,(H,13,16)
InChIKeyGUOAPHSBXCMSBX-UHFFFAOYSA-N
XLogP1.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-[[3-(chloromethyl)phenyl]methyl]-2,5-dihydroxybenzamide
CID 107725957
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(4-chlorobutyl)-2,5-dihydroxybenzamide (CID 107726261) is N-(4-chlorobutyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-chlorobutyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(4-chlorobutyl)-2,5-dihydroxybenzamide is O=C(NCCCCCl)c1cc(O)ccc1O.
What is the InChIKey of N-(4-chlorobutyl)-2,5-dihydroxybenzamide?
The InChIKey is GUOAPHSBXCMSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h3-4,7,14-15H,1-2,5-6H2,(H,13,16).
What are the key properties of N-(4-chlorobutyl)-2,5-dihydroxybenzamide?
N-(4-chlorobutyl)-2,5-dihydroxybenzamide has a molecular weight of 243.69 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107726261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).