4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide

C22H21ClN2O2 — CID 59673528

IUPAC4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
SMILESCC(C)(CO)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-22(2,14-26)17-9-11-18(12-10-17)25-21(27)16-7-5-15(6-8-16)20-19(23)4-3-13-24-20/h3-13,26H,14H2,1-2H3,(H,25,27)
InChIKeyLTRHZSWBBNZWLP-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.92
Rot. Bonds5

About 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide

4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide (PubChem CID 59673528) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
PubChem CID59673528
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
SMILESCC(C)(CO)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-22(2,14-26)17-9-11-18(12-10-17)25-21(27)16-7-5-15(6-8-16)20-19(23)4-3-13-24-20/h3-13,26H,14H2,1-2H3,(H,25,27)
InChIKeyLTRHZSWBBNZWLP-UHFFFAOYSA-N
XLogP4.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
CID 59673533
4-(3-chloro-2-pyridinyl)-N-(4-phenylphenyl)benzamide
CID 11234504
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
4-(3-chloro-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
N-(4-butan-2-ylphenyl)-5-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 59673738
4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
CID 59672870
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
CID 103094902

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide (CID 59673528) is 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide is CC(C)(CO)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide?
The InChIKey is LTRHZSWBBNZWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-22(2,14-26)17-9-11-18(12-10-17)25-21(27)16-7-5-15(6-8-16)20-19(23)4-3-13-24-20/h3-13,26H,14H2,1-2H3,(H,25,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 59673528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).