4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C22H18F3N3O — CID 122232635

IUPAC4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(/N=N/c2cc(C)ccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3N3O/c1-14-5-3-8-18(11-14)27-28-20-12-15(2)9-10-19(20)21(29)26-17-7-4-6-16(13-17)22(23,24)25/h3-13H,1-2H3,(H,26,29)/b28-27+
InChIKeyAQCULQOBELRXAV-BYYHNAKLSA-N
MW397.40 g/mol
LogP6.99
Rot. Bonds4

About 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 122232635) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID122232635
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(/N=N/c2cc(C)ccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3N3O/c1-14-5-3-8-18(11-14)27-28-20-12-15(2)9-10-19(20)21(29)26-17-7-4-6-16(13-17)22(23,24)25/h3-13H,1-2H3,(H,26,29)/b28-27+
InChIKeyAQCULQOBELRXAV-BYYHNAKLSA-N
XLogP6.99
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]chromene-4-carboxamide
CID 10020572
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
1-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 134102708
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 122232635) is 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1cccc(/N=N/c2cc(C)ccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AQCULQOBELRXAV-BYYHNAKLSA-N. The full InChI is InChI=1S/C22H18F3N3O/c1-14-5-3-8-18(11-14)27-28-20-12-15(2)9-10-19(20)21(29)26-17-7-4-6-16(13-17)22(23,24)25/h3-13H,1-2H3,(H,26,29)/b28-27+.
What are the key properties of 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 397.40 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 122232635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).