N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide

C18H19F3N2O3 — CID 38456028

IUPACN,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C18H19F3N2O3/c1-11-8-15(12(2)26-11)17(25)23(3)9-13-4-6-14(7-5-13)16(24)22-10-18(19,20)21/h4-8H,9-10H2,1-3H3,(H,22,24)
InChIKeyLNEGAUABLNPPKR-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.46
Rot. Bonds5

About N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide

N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 38456028) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
PubChem CID38456028
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C18H19F3N2O3/c1-11-8-15(12(2)26-11)17(25)23(3)9-13-4-6-14(7-5-13)16(24)22-10-18(19,20)21/h4-8H,9-10H2,1-3H3,(H,22,24)
InChIKeyLNEGAUABLNPPKR-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806953
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
4-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635942
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
4-[[[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 33394615
2,5-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]furan-3-carboxamide
CID 47076260
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide (CID 38456028) is N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c(C)o1.
What is the InChIKey of N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is LNEGAUABLNPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11-8-15(12(2)26-11)17(25)23(3)9-13-4-6-14(7-5-13)16(24)22-10-18(19,20)21/h4-8H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 38456028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).