4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide

C24H24ClN3O2 — CID 59673533

IUPAC4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-24(2,23(30)28(3)4)18-11-13-19(14-12-18)27-22(29)17-9-7-16(8-10-17)21-20(25)6-5-15-26-21/h5-15H,1-4H3,(H,27,29)
InChIKeyPBNAVDIFMAHLPX-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.02
Rot. Bonds5

About 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide

4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide (PubChem CID 59673533) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
PubChem CID59673533
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide
SMILESCN(C)C(=O)C(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O2/c1-24(2,23(30)28(3)4)18-11-13-19(14-12-18)27-22(29)17-9-7-16(8-10-17)21-20(25)6-5-15-26-21/h5-15H,1-4H3,(H,27,29)
InChIKeyPBNAVDIFMAHLPX-UHFFFAOYSA-N
XLogP5.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
CID 59673528
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-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 11245549
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
CID 59672870
4-[3-[bis(methylsulfonyl)amino]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 58639617
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673213

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide (CID 59673533) is 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide is CN(C)C(=O)C(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide?
The InChIKey is PBNAVDIFMAHLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-24(2,23(30)28(3)4)18-11-13-19(14-12-18)27-22(29)17-9-7-16(8-10-17)21-20(25)6-5-15-26-21/h5-15H,1-4H3,(H,27,29).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-N-[4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide has a molecular weight of 421.93 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 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-(dimethylamino)-2-methyl-1-oxopropan-2-yl]phenyl]benzamide is sourced from PubChem (CID 59673533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).