2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide

C19H16ClFN2O2S — CID 110421182

IUPAC2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-3-7-16(8-4-14)25-12-18(24)22-11-19-23-10-17(26-19)9-13-1-5-15(21)6-2-13/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyMIWJHBZYZVFHMW-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 110421182) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID110421182
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H16ClFN2O2S/c20-14-3-7-16(8-4-14)25-12-18(24)22-11-19-23-10-17(26-19)9-13-1-5-15(21)6-2-13/h1-8,10H,9,11-12H2,(H,22,24)
InChIKeyMIWJHBZYZVFHMW-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 110645117
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645265
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836241
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-(4-chlorophenoxy)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
CID 3482693
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide (CID 110421182) is 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is MIWJHBZYZVFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c20-14-3-7-16(8-4-14)25-12-18(24)22-11-19-23-10-17(26-19)9-13-1-5-15(21)6-2-13/h1-8,10H,9,11-12H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 390.87 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 110421182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).