4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide

C12H14F3N3O2 — CID 146425073

IUPAC4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(19)17-16)1-2-10(9)18-3-5-20-6-4-18/h1-2,7H,3-6,16H2,(H,17,19)
InChIKeySNSZITVNOVZILE-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.15
Rot. Bonds2

About 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide

4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide (PubChem CID 146425073) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
PubChem CID146425073
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(19)17-16)1-2-10(9)18-3-5-20-6-4-18/h1-2,7H,3-6,16H2,(H,17,19)
InChIKeySNSZITVNOVZILE-UHFFFAOYSA-N
XLogP1.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-difluoroazetidin-1-yl)-3-(trifluoromethyl)benzohydrazide
CID 146437908
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 53375899
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
CID 164889105
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 155809874

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide (CID 146425073) is 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide is NNC(=O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide?
The InChIKey is SNSZITVNOVZILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-7-8(11(19)17-16)1-2-10(9)18-3-5-20-6-4-18/h1-2,7H,3-6,16H2,(H,17,19).
What are the key properties of 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide?
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide has a molecular weight of 289.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 146425073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).