N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide

C19H13ClF3NO3 — CID 11188643

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO3/c20-17-5-4-14(9-16(17)19(21,22)23)24-18(25)11-27-15-3-1-2-12(8-15)13-6-7-26-10-13/h1-10H,11H2,(H,24,25)
InChIKeyZHAVGZCRBKLPAA-UHFFFAOYSA-N
MW395.76 g/mol
LogP5.64
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide (PubChem CID 11188643) has the molecular formula C19H13ClF3NO3 and a molecular weight of 395.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
PubChem CID11188643
Molecular FormulaC19H13ClF3NO3
Molecular Weight395.76 g/mol
Exact Mass395.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO3/c20-17-5-4-14(9-16(17)19(21,22)23)24-18(25)11-27-15-3-1-2-12(8-15)13-6-7-26-10-13/h1-10H,11H2,(H,24,25)
InChIKeyZHAVGZCRBKLPAA-UHFFFAOYSA-N
XLogP5.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(2H-tetrazol-5-yl)phenoxy]acetamide
CID 67161060
1-[3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]triazole-4-carboxylic acid
CID 90113665
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
CID 142738111
tert-butyl 5-[3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]cyclohepta-2,4-diene-1-carboxylate
CID 143012713
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 1185679
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5182093
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171329
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide (CID 11188643) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide is O=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide?
The InChIKey is ZHAVGZCRBKLPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO3/c20-17-5-4-14(9-16(17)19(21,22)23)24-18(25)11-27-15-3-1-2-12(8-15)13-6-7-26-10-13/h1-10H,11H2,(H,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide has a molecular weight of 395.76 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide is sourced from PubChem (CID 11188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).