2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide

C19H18FN3O3 — CID 31794745

IUPAC2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)19(26)22-21-18(25)13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11H,3-4,7,12H2,(H,21,25)(H,22,26)
InChIKeyATBAJLHTGFHIIH-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.42
Rot. Bonds3

About 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide

2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide (PubChem CID 31794745) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
PubChem CID31794745
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)19(26)22-21-18(25)13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11H,3-4,7,12H2,(H,21,25)(H,22,26)
InChIKeyATBAJLHTGFHIIH-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567
3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 35768592
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511
2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24514111
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide (CID 31794745) is 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
The InChIKey is ATBAJLHTGFHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-6-2-1-5-15(16)19(26)22-21-18(25)13-8-10-14(11-9-13)23-12-4-3-7-17(23)24/h1-2,5-6,8-11H,3-4,7,12H2,(H,21,25)(H,22,26).
What are the key properties of 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide?
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide has a molecular weight of 355.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 31794745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).