N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride

C15H15Cl2N3O3 — CID 18552098

IUPACN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCC(=O)Nc1cc(Cl)c(NC(=O)C[n+]2ccccc2)cc1O.[Cl-]
InChIInChI=1S/C15H14ClN3O3.ClH/c1-10(20)17-13-7-11(16)12(8-14(13)21)18-15(22)9-19-5-3-2-4-6-19;/h2-8H,9H2,1H3,(H2-,17,18,20,21,22);1H
InChIKeyIALGIKCOXVHYPW-UHFFFAOYSA-N
MW356.21 g/mol
LogP-1.07
Rot. Bonds4

About N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride

N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 18552098) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID18552098
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCC(=O)Nc1cc(Cl)c(NC(=O)C[n+]2ccccc2)cc1O.[Cl-]
InChIInChI=1S/C15H14ClN3O3.ClH/c1-10(20)17-13-7-11(16)12(8-14(13)21)18-15(22)9-19-5-3-2-4-6-19;/h2-8H,9H2,1H3,(H2-,17,18,20,21,22);1H
InChIKeyIALGIKCOXVHYPW-UHFFFAOYSA-N
XLogP-1.07
TPSA82.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-hydroxy-5-methoxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]carbamate
CID 18552108
N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
CID 18552171
2-(3-acetylpyridin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 8831367
N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
CID 22719116
N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide
CID 18552112
N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 4624473
N-[1-hydroxy-8-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-2-yl]-2-pyridin-1-ium-1-ylacetamide dichloride
CID 18172744
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(2-chlorophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826859
2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetic acid
CID 43442478
N-(4-amino-3,5-dichloro-2-hydroxyphenyl)-2-(1H-imidazol-3-ium-3-yl)acetamide
CID 172696727
ethane;2-pyridin-1-ium-1-ylacetohydrazide
CID 158150768

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride (CID 18552098) is N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride is CC(=O)Nc1cc(Cl)c(NC(=O)C[n+]2ccccc2)cc1O.[Cl-].
What is the InChIKey of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is IALGIKCOXVHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3.ClH/c1-10(20)17-13-7-11(16)12(8-14(13)21)18-15(22)9-19-5-3-2-4-6-19;/h2-8H,9H2,1H3,(H2-,17,18,20,21,22);1H.
What are the key properties of N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride?
N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 356.21 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 18552098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).