2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid

C16H14F3NO4 — CID 75383714

IUPAC2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C16H14F3NO4/c1-9-13(15(22)23)7-12(24-9)8-20(2)14(21)10-3-5-11(6-4-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,22,23)
InChIKeyKYORLJZRRFSWCY-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 75383714) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID75383714
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C16H14F3NO4/c1-9-13(15(22)23)7-12(24-9)8-20(2)14(21)10-3-5-11(6-4-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,22,23)
InChIKeyKYORLJZRRFSWCY-UHFFFAOYSA-N
XLogP3.58
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222812
5-[[[3-acetamido-5-(trifluoromethyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523050
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
5-[[[4-(dimethylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222465
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222002
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
5-[[(4-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
2-methyl-5-[[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119222801
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
2-methyl-5-[[methyl-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119222652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid (CID 75383714) is 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is KYORLJZRRFSWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-9-13(15(22)23)7-12(24-9)8-20(2)14(21)10-3-5-11(6-4-10)16(17,18)19/h3-7H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 341.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 75383714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).