4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide

C14H12F3N3O — CID 62238140

IUPAC4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-2-1-3-12(8-10)19-13(21)9-4-6-11(20-18)7-5-9/h1-8,20H,18H2,(H,19,21)
InChIKeyKMDJGHPLDKBAKI-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.24
Rot. Bonds3

About 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide

4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 62238140) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID62238140
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-2-1-3-12(8-10)19-13(21)9-4-6-11(20-18)7-5-9/h1-8,20H,18H2,(H,19,21)
InChIKeyKMDJGHPLDKBAKI-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 62238140) is 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide is NNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KMDJGHPLDKBAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)10-2-1-3-12(8-10)19-13(21)9-4-6-11(20-18)7-5-9/h1-8,20H,18H2,(H,19,21).
What are the key properties of 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 62238140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).