N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide

C14H13FN2O3 — CID 17452813

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccoc1
InChIInChI=1S/C14H13FN2O3/c1-17(14(19)10-6-7-20-9-10)8-13(18)16-12-4-2-11(15)3-5-12/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyVTWCINUHBJXLSS-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide (PubChem CID 17452813) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
PubChem CID17452813
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccoc1
InChIInChI=1S/C14H13FN2O3/c1-17(14(19)10-6-7-20-9-10)8-13(18)16-12-4-2-11(15)3-5-12/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyVTWCINUHBJXLSS-UHFFFAOYSA-N
XLogP2.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(3-anilino-3-oxopropyl)-N-methylfuran-3-carboxamide
CID 144676111
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17397187
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
CID 9089681
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 18112706
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426932
(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 9440816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide (CID 17452813) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccoc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
The InChIKey is VTWCINUHBJXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-17(14(19)10-6-7-20-9-10)8-13(18)16-12-4-2-11(15)3-5-12/h2-7,9H,8H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 17452813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).