4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide

C21H20N2O2 — CID 142392143

IUPAC4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-21(2,25)17-11-9-15(10-12-17)20(24)23-18-7-5-6-16(14-18)19-8-3-4-13-22-19/h3-14,25H,1-2H3,(H,23,24)
InChIKeyIEKPMVXRMOAJSN-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.23
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide

4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide (PubChem CID 142392143) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
PubChem CID142392143
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H20N2O2/c1-21(2,25)17-11-9-15(10-12-17)20(24)23-18-7-5-6-16(14-18)19-8-3-4-13-22-19/h3-14,25H,1-2H3,(H,23,24)
InChIKeyIEKPMVXRMOAJSN-UHFFFAOYSA-N
XLogP4.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392099
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
1-(3,5-ditert-butylphenyl)-3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]urea
CID 12990786
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide (CID 142392143) is 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide?
The InChIKey is IEKPMVXRMOAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-21(2,25)17-11-9-15(10-12-17)20(24)23-18-7-5-6-16(14-18)19-8-3-4-13-22-19/h3-14,25H,1-2H3,(H,23,24).
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide?
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide has a molecular weight of 332.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 142392143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).