N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O2 — CID 44538172

IUPACN-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCc2ccc(CC(=O)NN)cc2)c1C(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-16-4-2-3-15(18(16)19(20,21)22)10-9-13-5-7-14(8-6-13)11-17(27)25-23/h2-8H,9-11,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyYMYDVZMMZAXWFH-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.98
Rot. Bonds6

About N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide

N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 44538172) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide
PubChem CID44538172
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(CCc2ccc(CC(=O)NN)cc2)c1C(F)(F)F
InChIInChI=1S/C19H20F3N3O2/c1-12(26)24-16-4-2-3-15(18(16)19(20,21)22)10-9-13-5-7-14(8-6-13)11-17(27)25-23/h2-8H,9-11,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyYMYDVZMMZAXWFH-UHFFFAOYSA-N
XLogP2.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[3-acetamido-2-(trifluoromethyl)phenyl]boronic acid
CID 67881078
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide
CID 44538060
2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
CID 44539467
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
CID 67030460
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]phenyl] 2-acetamidoacetate;hydrochloride
CID 67030002
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide (CID 44538172) is N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cccc(CCc2ccc(CC(=O)NN)cc2)c1C(F)(F)F.
What is the InChIKey of N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YMYDVZMMZAXWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(26)24-16-4-2-3-15(18(16)19(20,21)22)10-9-13-5-7-14(8-6-13)11-17(27)25-23/h2-8H,9-11,23H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide?
N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 44538172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).