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

C20H18FNO4 — CID 9082502

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C20H18FNO4/c1-24-17-8-3-13(11-19(17)25-2)12-22-20(23)18-10-9-16(26-18)14-4-6-15(21)7-5-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZZSBBCPBEKTEOF-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.03
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 9082502) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID9082502
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC
InChIInChI=1S/C20H18FNO4/c1-24-17-8-3-13(11-19(17)25-2)12-22-20(23)18-10-9-16(26-18)14-4-6-15(21)7-5-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyZZSBBCPBEKTEOF-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-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 18111620
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
N'-(4-ethoxy-3-methoxybenzoyl)-5-(4-fluorophenyl)furan-2-carbohydrazide
CID 9090497
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 9082502) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is ZZSBBCPBEKTEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-24-17-8-3-13(11-19(17)25-2)12-22-20(23)18-10-9-16(26-18)14-4-6-15(21)7-5-14/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide 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-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 9082502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).