2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide

C15H15ClN2O2 — CID 107074342

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-11-3-1-10(2-4-11)7-8-18-15(20)13-9-12(19)5-6-14(13)17/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyYKHPERQVECHSOQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide

2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide (PubChem CID 107074342) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
PubChem CID107074342
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-11-3-1-10(2-4-11)7-8-18-15(20)13-9-12(19)5-6-14(13)17/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyYKHPERQVECHSOQ-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide (CID 107074342) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide?
The InChIKey is YKHPERQVECHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-11-3-1-10(2-4-11)7-8-18-15(20)13-9-12(19)5-6-14(13)17/h1-6,9,19H,7-8,17H2,(H,18,20).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide?
2-amino-N-[2-(4-chlorophenyl)ethyl]-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 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide is sourced from PubChem (CID 107074342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).