N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide

C21H20FNO4 — CID 18111620

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H20FNO4/c1-23(13-14-4-9-18(25-2)20(12-14)26-3)21(24)19-11-10-17(27-19)15-5-7-16(22)8-6-15/h4-12H,13H2,1-3H3
InChIKeyQQAKZJROQPJQMU-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.38
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 18111620) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
PubChem CID18111620
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C21H20FNO4/c1-23(13-14-4-9-18(25-2)20(12-14)26-3)21(24)19-11-10-17(27-19)15-5-7-16(22)8-6-15/h4-12H,13H2,1-3H3
InChIKeyQQAKZJROQPJQMU-UHFFFAOYSA-N
XLogP4.38
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18145565
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
5-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 109399945
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
CID 37155018
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
5-(4-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 135887598

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide (CID 18111620) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide is COc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is QQAKZJROQPJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-23(13-14-4-9-18(25-2)20(12-14)26-3)21(24)19-11-10-17(27-19)15-5-7-16(22)8-6-15/h4-12H,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 18111620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).