N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide

C13H14ClF3N2O — CID 134194943

IUPACN-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
SMILESC=C(CC)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h5-7,18H,2,4H2,1,3H3
InChIKeyPQRNSSMRRBPCAM-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.86
Rot. Bonds4

About N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide

N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide (PubChem CID 134194943) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
PubChem CID134194943
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC NameN-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide
SMILESC=C(CC)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C13H14ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h5-7,18H,2,4H2,1,3H3
InChIKeyPQRNSSMRRBPCAM-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide (CID 134194943) is N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide is C=C(CC)N(NC)C(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
The InChIKey is PQRNSSMRRBPCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c1-4-8(2)19(18-3)12(20)11-9(13(15,16)17)6-5-7-10(11)14/h5-7,18H,2,4H2,1,3H3.
What are the key properties of N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide?
N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide has a molecular weight of 306.72 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-chloro-N'-methyl-6-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 134194943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).