5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide

C23H18FN3O4 — CID 55371736

IUPAC5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H18FN3O4/c1-27-13-12-25-22(27)21(28)15-2-6-17(7-3-15)26-23(29)20-11-10-19(31-20)14-30-18-8-4-16(24)5-9-18/h2-13H,14H2,1H3,(H,26,29)
InChIKeySZHRLPVTDPJALL-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.21
Rot. Bonds7

About 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 55371736) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide
PubChem CID55371736
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H18FN3O4/c1-27-13-12-25-22(27)21(28)15-2-6-17(7-3-15)26-23(29)20-11-10-19(31-20)14-30-18-8-4-16(24)5-9-18/h2-13H,14H2,1H3,(H,26,29)
InChIKeySZHRLPVTDPJALL-UHFFFAOYSA-N
XLogP4.21
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide (CID 55371736) is 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide is Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is SZHRLPVTDPJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-27-13-12-25-22(27)21(28)15-2-6-17(7-3-15)26-23(29)20-11-10-19(31-20)14-30-18-8-4-16(24)5-9-18/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55371736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).