N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride

C15H15Cl2N3O3 — CID 18552171

IUPACN-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1Cl.[Cl-]
InChIInChI=1S/C15H14ClN3O3.ClH/c1-11(20)17-14-6-5-12(9-13(14)16)19(22)15(21)10-18-7-3-2-4-8-18;/h2-9,22H,10H2,1H3;1H
InChIKeyNCDAUKKUECUIAZ-UHFFFAOYSA-N
MW356.21 g/mol
LogP-0.99
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride

N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 18552171) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID18552171
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
SMILESCC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1Cl.[Cl-]
InChIInChI=1S/C15H14ClN3O3.ClH/c1-11(20)17-14-6-5-12(9-13(14)16)19(22)15(21)10-18-7-3-2-4-8-18;/h2-9,22H,10H2,1H3;1H
InChIKeyNCDAUKKUECUIAZ-UHFFFAOYSA-N
XLogP-0.99
TPSA73.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide
CID 18552112
N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride
CID 18552098
N-(2,4-diaminophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
CID 18552131
[3-chloro-4-(methylamino)phenyl]-hydroxycarbamic acid
CID 87711282
N-(4-acetamido-3-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-ylpropanamide
CID 505301
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
4-acetamido-3-chlorobenzoate
CID 6920708
N-[2-chloro-5-(dimethylamino)phenyl]acetamide
CID 130011997
N-[4-[(4-acetamidophenyl)carbamoyl-sulfanylamino]-2-chlorophenyl]benzamide
CID 57049260
N-[1-hydroxy-8-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-2-yl]-2-pyridin-1-ium-1-ylacetamide dichloride
CID 18172744
ethane;2-pyridin-1-ium-1-ylacetohydrazide
CID 158150768

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride (CID 18552171) is N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride is CC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1Cl.[Cl-].
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is NCDAUKKUECUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3.ClH/c1-11(20)17-14-6-5-12(9-13(14)16)19(22)15(21)10-18-7-3-2-4-8-18;/h2-9,22H,10H2,1H3;1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride?
N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 356.21 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 18552171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).