N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide

C13H18F3N3O2 — CID 176650270

IUPACN-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide
SMILESCC(C)(NNCCOC(F)(F)F)NC(=O)c1ccccc1
InChIInChI=1S/C13H18F3N3O2/c1-12(2,19-17-8-9-21-13(14,15)16)18-11(20)10-6-4-3-5-7-10/h3-7,17,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyYZKKDNMOBAWOKU-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.78
Rot. Bonds7

About N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide

N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide (PubChem CID 176650270) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide
PubChem CID176650270
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide
SMILESCC(C)(NNCCOC(F)(F)F)NC(=O)c1ccccc1
InChIInChI=1S/C13H18F3N3O2/c1-12(2,19-17-8-9-21-13(14,15)16)18-11(20)10-6-4-3-5-7-10/h3-7,17,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyYZKKDNMOBAWOKU-UHFFFAOYSA-N
XLogP1.78
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
methyl (2S)-2-benzamido-2-bromo-3,3,3-trifluoropropanoate
CID 101241069
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
ethyl (2S)-2-benzamido-3,3,3-trifluoro-2-propoxypropanoate
CID 42583067
2-(trifluoromethoxy)ethyl (Z)-3-phenyl-2-(trifluoromethoxy)but-2-enoate
CID 134933411
N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
CID 40534992
methyl (2R)-2-benzamido-2-bromo-3,3-dimethylbutanoate
CID 101241068
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
N-(1,1-difluoro-2-methylsulfinylethyl)benzamide
CID 170534908
methyl (2S)-2-benzamido-3-hydroxy-2-methylpropanoate
CID 102152083
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide (CID 176650270) is N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide is CC(C)(NNCCOC(F)(F)F)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is YZKKDNMOBAWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-12(2,19-17-8-9-21-13(14,15)16)18-11(20)10-6-4-3-5-7-10/h3-7,17,19H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide?
N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 305.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 176650270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).