N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide

C13H12ClF3N2O — CID 135129532

IUPACN-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
SMILESC=CC(=C)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h4-7,18H,1-2H2,3H3
InChIKeyQDGGTAJXABTDDJ-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.64
Rot. Bonds4

About N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide

N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide (PubChem CID 135129532) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
PubChem CID135129532
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC NameN-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
SMILESC=CC(=C)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h4-7,18H,1-2H2,3H3
InChIKeyQDGGTAJXABTDDJ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide (CID 135129532) is N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide is C=CC(=C)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The InChIKey is QDGGTAJXABTDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h4-7,18H,1-2H2,3H3.
What are the key properties of N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide has a molecular weight of 304.70 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135129532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).