N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide

C18H18F3N3O2 — CID 56777609

IUPACN-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H18F3N3O2/c1-12(25)22-16(13-6-3-2-4-7-13)11-17(26)24-23-15-9-5-8-14(10-15)18(19,20)21/h2-10,16,23H,11H2,1H3,(H,22,25)(H,24,26)
InChIKeyLIPWGEWJMRXDKK-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.42
Rot. Bonds6

About N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide

N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide (PubChem CID 56777609) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide
PubChem CID56777609
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H18F3N3O2/c1-12(25)22-16(13-6-3-2-4-7-13)11-17(26)24-23-15-9-5-8-14(10-15)18(19,20)21/h2-10,16,23H,11H2,1H3,(H,22,25)(H,24,26)
InChIKeyLIPWGEWJMRXDKK-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132821
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498
N-[2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 122155992
N-[(2R)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589497
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
CID 55343312
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 26918034
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide (CID 56777609) is N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide is CC(=O)NC(CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide?
The InChIKey is LIPWGEWJMRXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-12(25)22-16(13-6-3-2-4-7-13)11-17(26)24-23-15-9-5-8-14(10-15)18(19,20)21/h2-10,16,23H,11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide?
N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide has a molecular weight of 365.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide is sourced from PubChem (CID 56777609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).