2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C20H19ClFN3OS — CID 56541184

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1nccs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H19ClFN3OS/c1-25(12-15-16(21)8-5-9-17(15)22)13-18(26)24-19(20-23-10-11-27-20)14-6-3-2-4-7-14/h2-11,19H,12-13H2,1H3,(H,24,26)
InChIKeyICMFXXWCZCBKSI-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.27
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56541184) has the molecular formula C20H19ClFN3OS and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56541184
Molecular FormulaC20H19ClFN3OS
Molecular Weight403.91 g/mol
Exact Mass403.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1nccs1)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H19ClFN3OS/c1-25(12-15-16(21)8-5-9-17(15)22)13-18(26)24-19(20-23-10-11-27-20)14-6-3-2-4-7-14/h2-11,19H,12-13H2,1H3,(H,24,26)
InChIKeyICMFXXWCZCBKSI-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56541184) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is CN(CC(=O)NC(c1ccccc1)c1nccs1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is ICMFXXWCZCBKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3OS/c1-25(12-15-16(21)8-5-9-17(15)22)13-18(26)24-19(20-23-10-11-27-20)14-6-3-2-4-7-14/h2-11,19H,12-13H2,1H3,(H,24,26).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 403.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56541184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).