N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide

C14H19ClN2O4 — CID 85469449

IUPACN-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc(Cl)cc1O)NO
InChIInChI=1S/C14H19ClN2O4/c15-10-7-8-11(12(18)9-10)16-13(19)5-3-1-2-4-6-14(20)17-21/h7-9,18,21H,1-6H2,(H,16,19)(H,17,20)
InChIKeyMPFAWPPYKCRVSE-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.83
Rot. Bonds8

About N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide

N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide (PubChem CID 85469449) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
PubChem CID85469449
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccc(Cl)cc1O)NO
InChIInChI=1S/C14H19ClN2O4/c15-10-7-8-11(12(18)9-10)16-13(19)5-3-1-2-4-6-14(20)17-21/h7-9,18,21H,1-6H2,(H,16,19)(H,17,20)
InChIKeyMPFAWPPYKCRVSE-UHFFFAOYSA-N
XLogP2.83
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide (CID 85469449) is N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)Nc1ccc(Cl)cc1O)NO.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide?
The InChIKey is MPFAWPPYKCRVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c15-10-7-8-11(12(18)9-10)16-13(19)5-3-1-2-4-6-14(20)17-21/h7-9,18,21H,1-6H2,(H,16,19)(H,17,20).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide?
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide has a molecular weight of 314.77 g/mol, XLogP of 2.83, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide is sourced from PubChem (CID 85469449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).