3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide

C24H24F3N3O — CID 2305407

IUPAC3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O/c1-16-4-10-19(11-5-16)28-22(31)23(24(25,26)27,29-20-12-6-17(2)7-13-20)30-21-14-8-18(3)9-15-21/h4-15,29-30H,1-3H3,(H,28,31)
InChIKeyQYEQECUVFRBJQW-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.03
Rot. Bonds6

About 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide

3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 2305407) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide
PubChem CID2305407
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O/c1-16-4-10-19(11-5-16)28-22(31)23(24(25,26)27,29-20-12-6-17(2)7-13-20)30-21-14-8-18(3)9-15-21/h4-15,29-30H,1-3H3,(H,28,31)
InChIKeyQYEQECUVFRBJQW-UHFFFAOYSA-N
XLogP6.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide (CID 2305407) is 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(Nc2ccc(C)cc2)(Nc2ccc(C)cc2)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is QYEQECUVFRBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-16-4-10-19(11-5-16)28-22(31)23(24(25,26)27,29-20-12-6-17(2)7-13-20)30-21-14-8-18(3)9-15-21/h4-15,29-30H,1-3H3,(H,28,31).
What are the key properties of 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide?
3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 427.47 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 2305407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).