N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide

C20H18FNO4 — CID 24672781

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C20H18FNO4/c1-24-18-9-5-14(11-19(18)25-2)20(23)22-12-16-8-10-17(26-16)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyNDXSPJHXRDZZHO-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 24672781) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID24672781
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C20H18FNO4/c1-24-18-9-5-14(11-19(18)25-2)20(23)22-12-16-8-10-17(26-16)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyNDXSPJHXRDZZHO-UHFFFAOYSA-N
XLogP4.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
2-(2-bromo-4,5-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 24672867
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24677331
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 17335216
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9090497
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
CID 36897993
N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083893
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 18111620

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide (CID 24672781) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is NDXSPJHXRDZZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-24-18-9-5-14(11-19(18)25-2)20(23)22-12-16-8-10-17(26-16)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 355.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 24672781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).