2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide

C17H17F3N2O3 — CID 5078279

IUPAC2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCCC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-11-14(6-8-25-11)16(24)21-7-5-15(23)22-10-12-3-2-4-13(9-12)17(18,19)20/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyDEFQJLNUKSTFCT-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide

2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide (PubChem CID 5078279) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
PubChem CID5078279
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCCC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3/c1-11-14(6-8-25-11)16(24)21-7-5-15(23)22-10-12-3-2-4-13(9-12)17(18,19)20/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyDEFQJLNUKSTFCT-UHFFFAOYSA-N
XLogP3.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18267708
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide (CID 5078279) is 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide is Cc1occc1C(=O)NCCC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide?
The InChIKey is DEFQJLNUKSTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-11-14(6-8-25-11)16(24)21-7-5-15(23)22-10-12-3-2-4-13(9-12)17(18,19)20/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide?
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide is sourced from PubChem (CID 5078279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).