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

C15H15ClN2O3 — CID 43461425

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
SMILESNc1ccc(C(O)CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H15ClN2O3/c16-10-3-6-13(19)12(7-10)15(21)18-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H,18,21)
InChIKeyVRZGVZMBBOBYGZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.09
Rot. Bonds4

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

N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide (PubChem CID 43461425) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
PubChem CID43461425
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
SMILESNc1ccc(C(O)CNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H15ClN2O3/c16-10-3-6-13(19)12(7-10)15(21)18-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H,18,21)
InChIKeyVRZGVZMBBOBYGZ-UHFFFAOYSA-N
XLogP2.09
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-(2-hydroxyphenyl)acetamide
CID 80743477
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide (CID 43461425) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide is Nc1ccc(C(O)CNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is VRZGVZMBBOBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-10-3-6-13(19)12(7-10)15(21)18-8-14(20)9-1-4-11(17)5-2-9/h1-7,14,19-20H,8,17H2,(H,18,21).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 43461425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).