N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide

C17H16F3N3O2 — CID 55343312

IUPACN-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c1-11(21-16(25)12-6-3-2-4-7-12)15(24)23-22-14-9-5-8-13(10-14)17(18,19)20/h2-11,22H,1H3,(H,21,25)(H,23,24)
InChIKeySRHVZLQQNIWCPO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.97
Rot. Bonds5

About N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide

N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide (PubChem CID 55343312) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
PubChem CID55343312
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c1-11(21-16(25)12-6-3-2-4-7-12)15(24)23-22-14-9-5-8-13(10-14)17(18,19)20/h2-11,22H,1H3,(H,21,25)(H,23,24)
InChIKeySRHVZLQQNIWCPO-UHFFFAOYSA-N
XLogP2.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.97
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

N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
N-[(1R)-2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 1271854
2,6-difluoro-N-[3-methyl-1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]butan-2-yl]benzamide
CID 55343399
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 41250993
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide (CID 55343312) is N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is SRHVZLQQNIWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-11(21-16(25)12-6-3-2-4-7-12)15(24)23-22-14-9-5-8-13(10-14)17(18,19)20/h2-11,22H,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide?
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 351.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 55343312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).