N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide

C15H15ClN2O2 — CID 106500100

IUPACN-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
SMILESNc1ccc(CCNC(=O)c2cc(O)ccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-14-6-5-12(19)9-13(14)15(20)18-8-7-10-1-3-11(17)4-2-10/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeySTXPJYLDYYTPTK-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide

N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106500100) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
PubChem CID106500100
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
SMILESNc1ccc(CCNC(=O)c2cc(O)ccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-14-6-5-12(19)9-13(14)15(20)18-8-7-10-1-3-11(17)4-2-10/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeySTXPJYLDYYTPTK-UHFFFAOYSA-N
XLogP2.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503034
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide (CID 106500100) is N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide is Nc1ccc(CCNC(=O)c2cc(O)ccc2Cl)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is STXPJYLDYYTPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-6-5-12(19)9-13(14)15(20)18-8-7-10-1-3-11(17)4-2-10/h1-6,9,19H,7-8,17H2,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide?
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106500100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).