N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide

C15H14Cl2N3O3+ — CID 18552112

IUPACN-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=O)Nc1c(Cl)cc(N(O)C(=O)C[n+]2ccccc2)cc1Cl
InChIInChI=1S/C15H13Cl2N3O3/c1-10(21)18-15-12(16)7-11(8-13(15)17)20(23)14(22)9-19-5-3-2-4-6-19/h2-8,23H,9H2,1H3/p+1
InChIKeyKEGGJYCDDHNFCJ-UHFFFAOYSA-O
MW355.20 g/mol
LogP2.66
Rot. Bonds4

About N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide

N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide (PubChem CID 18552112) has the molecular formula C15H14Cl2N3O3+ and a molecular weight of 355.20 g/mol. Its IUPAC name is N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide
PubChem CID18552112
Molecular FormulaC15H14Cl2N3O3+
Molecular Weight355.20 g/mol
Exact Mass354.04
IUPAC NameN-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=O)Nc1c(Cl)cc(N(O)C(=O)C[n+]2ccccc2)cc1Cl
InChIInChI=1S/C15H13Cl2N3O3/c1-10(21)18-15-12(16)7-11(8-13(15)17)20(23)14(22)9-19-5-3-2-4-6-19/h2-8,23H,9H2,1H3/p+1
InChIKeyKEGGJYCDDHNFCJ-UHFFFAOYSA-O
XLogP2.66
TPSA73.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 52.66
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-chlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide chloride
CID 18552171
methyl N-[4-[hydroxy-(2-pyridin-1-ium-1-ylacetyl)amino]-2-methoxyphenyl]carbamate
CID 18552059
2-[4-[2-(4-acetamido-3,5-dichloro-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxyacetamide
CID 18424608
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
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
ethane;2-pyridin-1-ium-1-ylacetohydrazide
CID 158150768
N-phenyl-N-propan-2-yl-2-pyridin-1-ium-1-ylacetamide
CID 3657439
N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide
CID 17384153
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
CID 163984215
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide (CID 18552112) is N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide is CC(=O)Nc1c(Cl)cc(N(O)C(=O)C[n+]2ccccc2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is KEGGJYCDDHNFCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-10(21)18-15-12(16)7-11(8-13(15)17)20(23)14(22)9-19-5-3-2-4-6-19/h2-8,23H,9H2,1H3/p+1.
What are the key properties of N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide?
N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 355.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3,5-dichlorophenyl)-N-hydroxy-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 18552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).