N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide

C14H13ClN2O — CID 891155

IUPACN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-14(18)17-13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeySVIGACCCRFBKMR-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.22
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide

N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide (PubChem CID 891155) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
PubChem CID891155
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-14(18)17-13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeySVIGACCCRFBKMR-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide (CID 891155) is N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide?
The InChIKey is SVIGACCCRFBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-2-4-11(5-3-10)8-14(18)17-13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide has a molecular weight of 260.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 891155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).