N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide

C15H15ClN2O3 — CID 106500099

IUPACN-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
SMILESNc1ccccc1OCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-12-6-5-10(19)9-11(12)15(20)18-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyYYSSUBVJSDSGPD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide

N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106500099) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
PubChem CID106500099
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
SMILESNc1ccccc1OCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H15ClN2O3/c16-12-6-5-10(19)9-11(12)15(20)18-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyYYSSUBVJSDSGPD-UHFFFAOYSA-N
XLogP2.44
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide (CID 106500099) is N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide is Nc1ccccc1OCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is YYSSUBVJSDSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-6-5-10(19)9-11(12)15(20)18-7-8-21-14-4-2-1-3-13(14)17/h1-6,9,19H,7-8,17H2,(H,18,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide?
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106500099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).