N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide

C19H17ClN3O+ — CID 19993656

IUPACN-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1ccc(Cl)cc1)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-15-10-12-23(13-11-15)14-19(24)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16/h1-13,21H,14H2/p+1
InChIKeyICUKQRZXXOMRKU-UHFFFAOYSA-O
MW338.82 g/mol
LogP4.01
Rot. Bonds5

About N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide

N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide (PubChem CID 19993656) has the molecular formula C19H17ClN3O+ and a molecular weight of 338.82 g/mol. Its IUPAC name is N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
PubChem CID19993656
Molecular FormulaC19H17ClN3O+
Molecular Weight338.82 g/mol
Exact Mass338.11
IUPAC NameN-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1ccc(Cl)cc1)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C19H16ClN3O/c20-15-10-12-23(13-11-15)14-19(24)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16/h1-13,21H,14H2/p+1
InChIKeyICUKQRZXXOMRKU-UHFFFAOYSA-O
XLogP4.01
TPSA45.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 19993624
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013
N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827070
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958727
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 8859201
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
N-(2,5-dichlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 4624473
2-(4-benzylpyridin-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 8859525
[2-(2-anilinoanilino)-2-oxoethyl]-triethylazanium chloride
CID 19993657
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide (CID 19993656) is N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide is O=C(C[n+]1ccc(Cl)cc1)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide?
The InChIKey is ICUKQRZXXOMRKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16ClN3O/c20-15-10-12-23(13-11-15)14-19(24)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16/h1-13,21H,14H2/p+1.
What are the key properties of N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide?
N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide has a molecular weight of 338.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-2-(4-chloropyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 19993656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).