methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate

C17H16F3NO5 — CID 34481720

IUPACmethyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C
InChIInChI=1S/C17H16F3NO5/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)26-17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyRVNBICDCOJAJPV-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.55
Rot. Bonds5

About methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate (PubChem CID 34481720) has the molecular formula C17H16F3NO5 and a molecular weight of 371.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
PubChem CID34481720
Molecular FormulaC17H16F3NO5
Molecular Weight371.31 g/mol
Exact Mass371.10
IUPAC Namemethyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C
InChIInChI=1S/C17H16F3NO5/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)26-17(18,19)20/h4-8H,9H2,1-3H3
InChIKeyRVNBICDCOJAJPV-UHFFFAOYSA-N
XLogP3.55
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222002
methyl 2-methyl-5-[[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]methyl]furan-3-carboxylate
CID 31966993
methyl 5-[[(4-fluoro-1-benzothiophene-2-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484572
methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78834055
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate (CID 34481720) is methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2ccc(OC(F)(F)F)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is RVNBICDCOJAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5/c1-10-14(16(23)24-3)8-13(25-10)9-21(2)15(22)11-4-6-12(7-5-11)26-17(18,19)20/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 371.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 34481720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).