5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide

C22H20ClN3O2 — CID 50976747

IUPAC5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC(c2ccncc2)c2ccccc2C)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-5-3-4-6-18(14)21(16-9-11-24-12-10-16)26-22(28)19-13-17(25-15(2)27)7-8-20(19)23/h3-13,21H,1-2H3,(H,25,27)(H,26,28)
InChIKeyXGYUGWZCVKRJOZ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.52
Rot. Bonds5

About 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide

5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide (PubChem CID 50976747) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
PubChem CID50976747
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC(c2ccncc2)c2ccccc2C)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-5-3-4-6-18(14)21(16-9-11-24-12-10-16)26-22(28)19-13-17(25-15(2)27)7-8-20(19)23/h3-13,21H,1-2H3,(H,25,27)(H,26,28)
InChIKeyXGYUGWZCVKRJOZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
1-(3-chloro-4-methylphenyl)-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232815
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide (CID 50976747) is 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)NC(c2ccncc2)c2ccccc2C)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
The InChIKey is XGYUGWZCVKRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14-5-3-4-6-18(14)21(16-9-11-24-12-10-16)26-22(28)19-13-17(25-15(2)27)7-8-20(19)23/h3-13,21H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide?
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide has a molecular weight of 393.87 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 50976747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).