4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide

C21H17F3N2O — CID 69272720

IUPAC4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESCc1ccc(C(=O)N(N)c2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C21H17F3N2O/c1-14-10-11-16(12-19(14)15-6-3-2-4-7-15)20(27)26(25)18-9-5-8-17(13-18)21(22,23)24/h2-13H,25H2,1H3
InChIKeyJLYRGMNEPODJNJ-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.20
Rot. Bonds3

About 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide

4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 69272720) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID69272720
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide
SMILESCc1ccc(C(=O)N(N)c2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C21H17F3N2O/c1-14-10-11-16(12-19(14)15-6-3-2-4-7-15)20(27)26(25)18-9-5-8-17(13-18)21(22,23)24/h2-13H,25H2,1H3
InChIKeyJLYRGMNEPODJNJ-UHFFFAOYSA-N
XLogP5.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 69043668
3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 117351467
4-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 70144203
N-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 102120901
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
1-[5-[methoxy-[3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]imidazole-4-carboxylic acid
CID 87676399
3-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 68949773
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide (CID 69272720) is 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide is Cc1ccc(C(=O)N(N)c2cccc(C(F)(F)F)c2)cc1-c1ccccc1.
What is the InChIKey of 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is JLYRGMNEPODJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-14-10-11-16(12-19(14)15-6-3-2-4-7-15)20(27)26(25)18-9-5-8-17(13-18)21(22,23)24/h2-13H,25H2,1H3.
What are the key properties of 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide?
4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 370.37 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 69272720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).