N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide

C19H15FN2O4 — CID 39213699

IUPACN-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F
InChIInChI=1S/C19H15FN2O4/c20-16-8-6-12(10-15(16)18(21)23)22-19(24)17-9-7-14(26-17)11-25-13-4-2-1-3-5-13/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyTUBSSYWJGCBZJE-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.35
Rot. Bonds6

About N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 39213699) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID39213699
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F
InChIInChI=1S/C19H15FN2O4/c20-16-8-6-12(10-15(16)18(21)23)22-19(24)17-9-7-14(26-17)11-25-13-4-2-1-3-5-13/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyTUBSSYWJGCBZJE-UHFFFAOYSA-N
XLogP3.35
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43050364
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(3-carbamoyl-4-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 46400813
5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide (CID 39213699) is N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide is NC(=O)c1cc(NC(=O)c2ccc(COc3ccccc3)o2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is TUBSSYWJGCBZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-16-8-6-12(10-15(16)18(21)23)22-19(24)17-9-7-14(26-17)11-25-13-4-2-1-3-5-13/h1-10H,11H2,(H2,21,23)(H,22,24).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 39213699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).