2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide

C19H20ClF2NO4 — CID 9482433

IUPAC2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(=O)COc2cc(C)ccc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H20ClF2NO4/c1-12-3-5-14(20)16(9-12)26-11-18(24)23-8-7-13-4-6-15(27-19(21)22)17(10-13)25-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyDDJHXSGRFFJZTL-UHFFFAOYSA-N
MW399.82 g/mol
LogP4.00
Rot. Bonds9

About 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide (PubChem CID 9482433) has the molecular formula C19H20ClF2NO4 and a molecular weight of 399.82 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
PubChem CID9482433
Molecular FormulaC19H20ClF2NO4
Molecular Weight399.82 g/mol
Exact Mass399.10
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(=O)COc2cc(C)ccc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H20ClF2NO4/c1-12-3-5-14(20)16(9-12)26-11-18(24)23-8-7-13-4-6-15(27-19(21)22)17(10-13)25-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyDDJHXSGRFFJZTL-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894841
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-(2-chloro-4-fluorophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 41498200
2-(4-acetylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 17424738
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013918
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-(3-nitrophenoxy)acetamide
CID 8587220
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 45051439

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide (CID 9482433) is 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide is COc1cc(CCNC(=O)COc2cc(C)ccc2Cl)ccc1OC(F)F.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
The InChIKey is DDJHXSGRFFJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO4/c1-12-3-5-14(20)16(9-12)26-11-18(24)23-8-7-13-4-6-15(27-19(21)22)17(10-13)25-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide has a molecular weight of 399.82 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 9482433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).