methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate

C21H16F3NO4 — CID 59654678

IUPACmethyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C21H16F3NO4/c1-28-19(26)11-13-4-2-7-16(10-13)25-20(27)18-9-8-17(29-18)14-5-3-6-15(12-14)21(22,23)24/h2-10,12H,11H2,1H3,(H,25,27)
InChIKeyBYBXTSMEOHXRPZ-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.93
Rot. Bonds5

About methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate

methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate (PubChem CID 59654678) has the molecular formula C21H16F3NO4 and a molecular weight of 403.36 g/mol. Its IUPAC name is methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
PubChem CID59654678
Molecular FormulaC21H16F3NO4
Molecular Weight403.36 g/mol
Exact Mass403.10
IUPAC Namemethyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C21H16F3NO4/c1-28-19(26)11-13-4-2-7-16(10-13)25-20(27)18-9-8-17(29-18)14-5-3-6-15(12-14)21(22,23)24/h2-10,12H,11H2,1H3,(H,25,27)
InChIKeyBYBXTSMEOHXRPZ-UHFFFAOYSA-N
XLogP4.93
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate (CID 59654678) is methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate?
The InChIKey is BYBXTSMEOHXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO4/c1-28-19(26)11-13-4-2-7-16(10-13)25-20(27)18-9-8-17(29-18)14-5-3-6-15(12-14)21(22,23)24/h2-10,12H,11H2,1H3,(H,25,27).
What are the key properties of methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate?
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate has a molecular weight of 403.36 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 59654678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).