2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride

C16H18Cl2N2O — CID 154856536

IUPAC2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(CC(NC(=O)CCl)c2ccccn2)cc1.Cl
InChIInChI=1S/C16H17ClN2O.ClH/c1-12-5-7-13(8-6-12)10-15(19-16(20)11-17)14-4-2-3-9-18-14;/h2-9,15H,10-11H2,1H3,(H,19,20);1H
InChIKeyPFSRMAWJFLNNSI-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.45
Rot. Bonds5

About 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride

2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride (PubChem CID 154856536) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
PubChem CID154856536
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(CC(NC(=O)CCl)c2ccccn2)cc1.Cl
InChIInChI=1S/C16H17ClN2O.ClH/c1-12-5-7-13(8-6-12)10-15(19-16(20)11-17)14-4-2-3-9-18-14;/h2-9,15H,10-11H2,1H3,(H,19,20);1H
InChIKeyPFSRMAWJFLNNSI-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
CID 21293880
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
3-methyl-1-[[2-(4-methylphenyl)-1-pyridin-2-ylethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride (CID 154856536) is 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride is Cc1ccc(CC(NC(=O)CCl)c2ccccn2)cc1.Cl.
What is the InChIKey of 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride?
The InChIKey is PFSRMAWJFLNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O.ClH/c1-12-5-7-13(8-6-12)10-15(19-16(20)11-17)14-4-2-3-9-18-14;/h2-9,15H,10-11H2,1H3,(H,19,20);1H.
What are the key properties of 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride?
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride has a molecular weight of 325.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 154856536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).