N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C25H26ClFN4O3S — CID 42601205

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C25H26ClFN4O3S/c1-30(15-18-19(26)6-5-7-20(18)27)24(34)16-8-10-17(11-9-16)28-22(32)14-21-23(33)29-25(35-21)31-12-3-2-4-13-31/h5-11,21H,2-4,12-15H2,1H3,(H,28,32)
InChIKeyOCQHRSAUXSWFHT-UHFFFAOYSA-N
MW517.03 g/mol
LogP4.56
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 42601205) has the molecular formula C25H26ClFN4O3S and a molecular weight of 517.03 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID42601205
Molecular FormulaC25H26ClFN4O3S
Molecular Weight517.03 g/mol
Exact Mass516.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C25H26ClFN4O3S/c1-30(15-18-19(26)6-5-7-20(18)27)24(34)16-8-10-17(11-9-16)28-22(32)14-21-23(33)29-25(35-21)31-12-3-2-4-13-31/h5-11,21H,2-4,12-15H2,1H3,(H,28,32)
InChIKeyOCQHRSAUXSWFHT-UHFFFAOYSA-N
XLogP4.56
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]methanone
CID 3612823
N-(2-chlorophenyl)-2-({3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)acetamide
CID 4625345
4-acetamido-N-(4-chlorophenyl)-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 24249183
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982126
N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982925
N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 25163314
N-benzyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 4791285
N-benzyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 4791286
1-(2-(3-(3-Chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylthio)-4-methylpentanoyl)piperidine-4-carboxamide
CID 44193488
N-[1-(4-fluorophenyl)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 16304596
N-[(2-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 16306253
N-[(4-fluorophenyl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 16307942

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 42601205) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is OCQHRSAUXSWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3S/c1-30(15-18-19(26)6-5-7-20(18)27)24(34)16-8-10-17(11-9-16)28-22(32)14-21-23(33)29-25(35-21)31-12-3-2-4-13-31/h5-11,21H,2-4,12-15H2,1H3,(H,28,32).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 517.03 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 42601205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).