2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide

C14H12F3NO3 — CID 46421851

IUPAC2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3/c1-9-12(6-7-20-9)13(19)18-10-2-4-11(5-3-10)21-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyOSBCJRODWONWNH-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.78
Rot. Bonds4

About 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide

2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide (PubChem CID 46421851) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
PubChem CID46421851
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3/c1-9-12(6-7-20-9)13(19)18-10-2-4-11(5-3-10)21-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyOSBCJRODWONWNH-UHFFFAOYSA-N
XLogP3.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-(trifluoromethyl)benzamide
CID 134010341
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
N-(4-methoxyphenyl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 6492523
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide (CID 46421851) is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
The InChIKey is OSBCJRODWONWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-9-12(6-7-20-9)13(19)18-10-2-4-11(5-3-10)21-8-14(15,16)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide?
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 46421851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).