N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

C19H16ClN2O+ — CID 8876592

IUPACN-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O/c20-17-9-4-10-18(12-17)21-19(23)14-22-11-5-8-16(13-22)15-6-2-1-3-7-15/h1-13H,14H2/p+1
InChIKeyXJJNGBGFHFWNHS-UHFFFAOYSA-O
MW323.80 g/mol
LogP3.93
Rot. Bonds4

About N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 8876592) has the molecular formula C19H16ClN2O+ and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID8876592
Molecular FormulaC19H16ClN2O+
Molecular Weight323.80 g/mol
Exact Mass323.09
IUPAC NameN-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O/c20-17-9-4-10-18(12-17)21-19(23)14-22-11-5-8-16(13-22)15-6-2-1-3-7-15/h1-13H,14H2/p+1
InChIKeyXJJNGBGFHFWNHS-UHFFFAOYSA-O
XLogP3.93
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876596
N-[4-[(2R)-butan-2-yl]phenyl]-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876594
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 155615363
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 8876592) is N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is XJJNGBGFHFWNHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15ClN2O/c20-17-9-4-10-18(12-17)21-19(23)14-22-11-5-8-16(13-22)15-6-2-1-3-7-15/h1-13H,14H2/p+1.
What are the key properties of N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8876592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).