N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide

C15H19FN2O2 — CID 67922185

IUPACN'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
SMILESC=CCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H19FN2O2/c1-5-7-13(19)17-18(15(2,3)4)14(20)11-8-6-9-12(16)10-11/h5-6,8-10H,1,7H2,2-4H3,(H,17,19)
InChIKeyLWBCOXQMSICNKT-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.67
Rot. Bonds3

About N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide

N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide (PubChem CID 67922185) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
PubChem CID67922185
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
SMILESC=CCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H19FN2O2/c1-5-7-13(19)17-18(15(2,3)4)14(20)11-8-6-9-12(16)10-11/h5-6,8-10H,1,7H2,2-4H3,(H,17,19)
InChIKeyLWBCOXQMSICNKT-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57220641
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N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
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N-tert-butyl-N'-propanoylbenzohydrazide
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CID 70427476
N-tert-butyl-3-methyl-N'-pent-3-ynoylbenzohydrazide
CID 67921840
N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
CID 67922013
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
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N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712

Frequently Asked Questions

What is the IUPAC name of N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide?
The IUPAC name of N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide (CID 67922185) is N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide.
What is the SMILES notation for N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide?
The canonical SMILES for N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide is C=CCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide?
The InChIKey is LWBCOXQMSICNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-5-7-13(19)17-18(15(2,3)4)14(20)11-8-6-9-12(16)10-11/h5-6,8-10H,1,7H2,2-4H3,(H,17,19).
What are the key properties of N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide?
N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide has a molecular weight of 278.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide is sourced from PubChem (CID 67922185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).