N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C16H12F6N2O3 — CID 35713339

IUPACN-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccco1
InChIInChI=1S/C16H12F6N2O3/c1-24(14(26)12-3-2-4-27-12)8-13(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,8H2,1H3,(H,23,25)
InChIKeyRHXRDJOHUJQRMH-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.03
Rot. Bonds4

About N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 35713339) has the molecular formula C16H12F6N2O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID35713339
Molecular FormulaC16H12F6N2O3
Molecular Weight394.27 g/mol
Exact Mass394.08
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccco1
InChIInChI=1S/C16H12F6N2O3/c1-24(14(26)12-3-2-4-27-12)8-13(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,8H2,1H3,(H,23,25)
InChIKeyRHXRDJOHUJQRMH-UHFFFAOYSA-N
XLogP4.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357
N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
CID 51122387
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 35713339) is N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is RHXRDJOHUJQRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O3/c1-24(14(26)12-3-2-4-27-12)8-13(25)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,8H2,1H3,(H,23,25).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 35713339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).