2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide

C21H24FN3O4 — CID 2454697

IUPAC2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H24FN3O4/c1-14(2)11-12-29-16-9-7-15(8-10-16)20(27)25-24-19(26)13-23-21(28)17-5-3-4-6-18(17)22/h3-10,14H,11-13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyBYXHTQSICCINHP-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.44
Rot. Bonds8

About 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 2454697) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID2454697
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H24FN3O4/c1-14(2)11-12-29-16-9-7-15(8-10-16)20(27)25-24-19(26)13-23-21(28)17-5-3-4-6-18(17)22/h3-10,14H,11-13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyBYXHTQSICCINHP-UHFFFAOYSA-N
XLogP2.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.44
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

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CID 42262
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CID 134179433
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
Benzamide, N,N'-(2,2-dimethyl-1,3-propanediyl)bis(4-methoxy-
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4-methoxy-N-(3-phenylpropyl)benzamide
CID 1744311
4-Butoxy-N-hydroxycarbamoylmethyl-benzamide
CID 44404479
N-Hydroxycarbamoylmethyl-4-phenoxy-benzamide
CID 44404537
N-hydroxy-4-[2-(phenylformamido)ethoxy]benzamide
CID 24971308
1-[(2S)-3-methyl-2-[(4-phenoxybenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 44298605
2-fluorobenzyl N-(4-methoxybenzoyl)glycinate
CID 1242129
4-butoxy-N-(2-phenylethyl)benzamide
CID 1735927

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide (CID 2454697) is 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide is CC(C)CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is BYXHTQSICCINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-14(2)11-12-29-16-9-7-15(8-10-16)20(27)25-24-19(26)13-23-21(28)17-5-3-4-6-18(17)22/h3-10,14H,11-13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 2454697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).