N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide

C19H16F3N3O2 — CID 158882728

IUPACN'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
SMILESN#CCCC(=O)NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-13(8-10-15)12-14-4-1-2-5-16(14)18(27)25-24-17(26)6-3-11-23/h1-2,4-5,7-10H,3,6,12H2,(H,24,26)(H,25,27)
InChIKeyBBRIVYIMQJMYBM-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.36
Rot. Bonds5

About N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide

N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide (PubChem CID 158882728) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide.

Molecular Properties

Compound NameN'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
PubChem CID158882728
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
SMILESN#CCCC(=O)NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-13(8-10-15)12-14-4-1-2-5-16(14)18(27)25-24-17(26)6-3-11-23/h1-2,4-5,7-10H,3,6,12H2,(H,24,26)(H,25,27)
InChIKeyBBRIVYIMQJMYBM-UHFFFAOYSA-N
XLogP3.36
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hydroxypent-4-ynoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
CID 162098400
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol
CID 159815312
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
2-[[4-(trifluoromethyl)phenoxy]methyl]benzoyl cyanide
CID 19755749
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The IUPAC name of N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide (CID 158882728) is N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide.
What is the SMILES notation for N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The canonical SMILES for N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide is N#CCCC(=O)NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The InChIKey is BBRIVYIMQJMYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-7-13(8-10-15)12-14-4-1-2-5-16(14)18(27)25-24-17(26)6-3-11-23/h1-2,4-5,7-10H,3,6,12H2,(H,24,26)(H,25,27).
What are the key properties of N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide has a molecular weight of 375.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanopropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide is sourced from PubChem (CID 158882728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).