2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide

C21H17ClF2N2O2 — CID 167200495

IUPAC2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1COc1ccc(F)cn1
InChIInChI=1S/C21H17ClF2N2O2/c1-13-8-18(26-20(27)9-14-2-4-16(23)10-19(14)22)6-3-15(13)12-28-21-7-5-17(24)11-25-21/h2-8,10-11H,9,12H2,1H3,(H,26,27)
InChIKeyYNILOYMIXSPKED-UHFFFAOYSA-N
MW402.83 g/mol
LogP5.08
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide (PubChem CID 167200495) has the molecular formula C21H17ClF2N2O2 and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
PubChem CID167200495
Molecular FormulaC21H17ClF2N2O2
Molecular Weight402.83 g/mol
Exact Mass402.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1COc1ccc(F)cn1
InChIInChI=1S/C21H17ClF2N2O2/c1-13-8-18(26-20(27)9-14-2-4-16(23)10-19(14)22)6-3-15(13)12-28-21-7-5-17(24)11-25-21/h2-8,10-11H,9,12H2,1H3,(H,26,27)
InChIKeyYNILOYMIXSPKED-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.83
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596477
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 167200778
methyl 5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoate
CID 172564337
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
CID 172564528
2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-5-sulfamoylphenyl)acetamide
CID 167215417
2-(2-chloro-4-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 122146835
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)acetamide
CID 134706391
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
N-[(2,4-difluorophenyl)methyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide
CID 53175069
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200135

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide (CID 167200495) is 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1COc1ccc(F)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide?
The InChIKey is YNILOYMIXSPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O2/c1-13-8-18(26-20(27)9-14-2-4-16(23)10-19(14)22)6-3-15(13)12-28-21-7-5-17(24)11-25-21/h2-8,10-11H,9,12H2,1H3,(H,26,27).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide has a molecular weight of 402.83 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 167200495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).