2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

C22H20Cl2FNO3 — CID 19120130

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc(C)c1Cl
InChIInChI=1S/C22H20Cl2FNO3/c1-14-9-17(10-15(2)22(14)24)29-13-21(27)26(11-16-5-4-8-28-16)12-18-19(23)6-3-7-20(18)25/h3-10H,11-13H2,1-2H3
InChIKeyIESBFLKEABHFRY-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.95
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 19120130) has the molecular formula C22H20Cl2FNO3 and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID19120130
Molecular FormulaC22H20Cl2FNO3
Molecular Weight436.31 g/mol
Exact Mass435.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc(C)c1Cl
InChIInChI=1S/C22H20Cl2FNO3/c1-14-9-17(10-15(2)22(14)24)29-13-21(27)26(11-16-5-4-8-28-16)12-18-19(23)6-3-7-20(18)25/h3-10H,11-13H2,1-2H3
InChIKeyIESBFLKEABHFRY-UHFFFAOYSA-N
XLogP5.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19120147
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 19120148
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 19120272
4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 19120118
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 19120087
3,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 19120207
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19120210
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N,N-bis(furan-2-ylmethyl)propanamide
CID 40639487
2-(4-chloro-2-methylphenoxy)-N-(furan-2-ylmethyl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
CID 19243794
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
CID 42709076
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (CID 19120130) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is Cc1cc(OCC(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IESBFLKEABHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FNO3/c1-14-9-17(10-15(2)22(14)24)29-13-21(27)26(11-16-5-4-8-28-16)12-18-19(23)6-3-7-20(18)25/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 436.31 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 19120130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).