N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide

C16H19FN2O2 — CID 67922013

IUPACN'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
SMILESCCC#CC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C16H19FN2O2/c1-5-6-10-14(20)19(16(2,3)4)18-15(21)12-8-7-9-13(17)11-12/h7-9,11H,5H2,1-4H3,(H,18,21)
InChIKeyKMXXZWOAHYJJST-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.51
Rot. Bonds1

About N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide

N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide (PubChem CID 67922013) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
PubChem CID67922013
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide
SMILESCCC#CC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C16H19FN2O2/c1-5-6-10-14(20)19(16(2,3)4)18-15(21)12-8-7-9-13(17)11-12/h7-9,11H,5H2,1-4H3,(H,18,21)
InChIKeyKMXXZWOAHYJJST-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-tert-butyl-N'-(3-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
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N-tert-butyl-3-fluoro-N'-non-5-ynoylbenzohydrazide
CID 67921828
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
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3-fluoro-N-hydroxybenzamide
CID 5082377
N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
CID 57220641
N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
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N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
CID 88511289
N'-tert-butyl-4-chloro-N'-non-2-ynoylbenzohydrazide
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N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide?
The IUPAC name of N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide (CID 67922013) is N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide is CCC#CC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide?
The InChIKey is KMXXZWOAHYJJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-5-6-10-14(20)19(16(2,3)4)18-15(21)12-8-7-9-13(17)11-12/h7-9,11H,5H2,1-4H3,(H,18,21).
What are the key properties of N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide?
N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide has a molecular weight of 290.34 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-fluoro-N'-pent-2-ynoylbenzohydrazide is sourced from PubChem (CID 67922013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).