N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C21H18FN3O4 — CID 84968457

IUPACN-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C21H18FN3O4/c22-16-10-5-4-9-15(16)19(26)24-25-20(27)17(13-14-7-2-1-3-8-14)23-21(28)18-11-6-12-29-18/h1-12,17H,13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyBOBDTTPGXCHDOJ-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.22
Rot. Bonds6

About N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 84968457) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID84968457
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC NameN-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C21H18FN3O4/c22-16-10-5-4-9-15(16)19(26)24-25-20(27)17(13-14-7-2-1-3-8-14)23-21(28)18-11-6-12-29-18/h1-12,17H,13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyBOBDTTPGXCHDOJ-UHFFFAOYSA-N
XLogP2.22
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 9366703
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide
CID 35787090
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7601258
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 84968457) is N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is BOBDTTPGXCHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c22-16-10-5-4-9-15(16)19(26)24-25-20(27)17(13-14-7-2-1-3-8-14)23-21(28)18-11-6-12-29-18/h1-12,17H,13H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 84968457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).