N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C21H15FN4O3 — CID 55818858

IUPACN-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H15FN4O3/c22-17-13-16(8-9-18(17)26-11-2-10-23-26)25-20(27)14-4-6-15(7-5-14)24-21(28)19-3-1-12-29-19/h1-13H,(H,24,28)(H,25,27)
InChIKeyARRQBXJWMDDWBM-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.11
Rot. Bonds5

About N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55818858) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55818858
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC NameN-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H15FN4O3/c22-17-13-16(8-9-18(17)26-11-2-10-23-26)25-20(27)14-4-6-15(7-5-14)24-21(28)19-3-1-12-29-19/h1-13H,(H,24,28)(H,25,27)
InChIKeyARRQBXJWMDDWBM-UHFFFAOYSA-N
XLogP4.11
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 30183964
N-(3-fluoro-4-pyrazol-1-ylphenyl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55820141
N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55820396
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55818962
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55818858) is N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ARRQBXJWMDDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c22-17-13-16(8-9-18(17)26-11-2-10-23-26)25-20(27)14-4-6-15(7-5-14)24-21(28)19-3-1-12-29-19/h1-13H,(H,24,28)(H,25,27).
What are the key properties of N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55818858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).