methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one

C19H21NO2 — CID 157437167

IUPACmethane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
SMILESC.CNC1=C(c2cccc(C)c2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H17NO2.CH4/c1-12-7-6-10-14(11-12)15-16(20)17(21-18(15)19-2)13-8-4-3-5-9-13;/h3-11,17,19H,1-2H3;1H4
InChIKeyBRFYZRVWWKFGHQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.86
Rot. Bonds3

About methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one

methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one (PubChem CID 157437167) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one.

Molecular Properties

Compound Namemethane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
PubChem CID157437167
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one
SMILESC.CNC1=C(c2cccc(C)c2)C(=O)C(c2ccccc2)O1
InChIInChI=1S/C18H17NO2.CH4/c1-12-7-6-10-14(11-12)15-16(20)17(21-18(15)19-2)13-8-4-3-5-9-13;/h3-11,17,19H,1-2H3;1H4
InChIKeyBRFYZRVWWKFGHQ-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Flurtamone
CID 91755
(R)-flurtamone
CID 92286492
5-(methylamino)-2-phenyl-4-[4-(trifluoromethyl)phenyl]-3(2H)-furanone
CID 2765920
2-Phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-amino-2,3-dihydrofuran
CID 13579285
5-(Ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579287
5-Amino-2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579289
5-(Methylamino)-2-naphthalen-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579310
2-Methyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579313
2-Ethyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 13579316
2-Phenyl-3-oxo-4-(3-trifluoromethylphenyl)-5-cyclopropylamino-2,3-dihydrofuran
CID 13579376
4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-one
CID 20205357
2-(4-Fluorophenyl)-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 20205358

Frequently Asked Questions

What is the IUPAC name of methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one?
The IUPAC name of methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one (CID 157437167) is methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one.
What is the SMILES notation for methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one?
The canonical SMILES for methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one is C.CNC1=C(c2cccc(C)c2)C(=O)C(c2ccccc2)O1.
What is the InChIKey of methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one?
The InChIKey is BRFYZRVWWKFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.CH4/c1-12-7-6-10-14(11-12)15-16(20)17(21-18(15)19-2)13-8-4-3-5-9-13;/h3-11,17,19H,1-2H3;1H4.
What are the key properties of methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one?
methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one has a molecular weight of 295.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(methylamino)-4-(3-methylphenyl)-2-phenylfuran-3-one is sourced from PubChem (CID 157437167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).