2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide

C22H21ClN2O — CID 20897057

IUPAC2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1C
InChIInChI=1S/C22H21ClN2O/c1-15-5-8-18(12-16(15)2)22(19-4-3-11-24-14-19)25-21(26)13-17-6-9-20(23)10-7-17/h3-12,14,22H,13H2,1-2H3,(H,25,26)
InChIKeyXGSGRIQIULMSTJ-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.80
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide

2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide (PubChem CID 20897057) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
PubChem CID20897057
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1C
InChIInChI=1S/C22H21ClN2O/c1-15-5-8-18(12-16(15)2)22(19-4-3-11-24-14-19)25-21(26)13-17-6-9-20(23)10-7-17/h3-12,14,22H,13H2,1-2H3,(H,25,26)
InChIKeyXGSGRIQIULMSTJ-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-2-(4-methylphenoxy)acetamide
CID 20897097
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(4-hydroxyphenyl)acetamide
CID 75380343
3-(2-amino-1,3-thiazol-4-yl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 74245190
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide (CID 20897057) is 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)c2cccnc2)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide?
The InChIKey is XGSGRIQIULMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-15-5-8-18(12-16(15)2)22(19-4-3-11-24-14-19)25-21(26)13-17-6-9-20(23)10-7-17/h3-12,14,22H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide?
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide has a molecular weight of 364.88 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide is sourced from PubChem (CID 20897057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).