3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide

C24H24F3N3O4 — CID 2380112

IUPAC3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(Nc2ccc(OC)cc2)(Nc2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O4/c1-32-19-10-4-16(5-11-19)28-22(31)23(24(25,26)27,29-17-6-12-20(33-2)13-7-17)30-18-8-14-21(34-3)15-9-18/h4-15,29-30H,1-3H3,(H,28,31)
InChIKeyFZHNMLLJTVWAEJ-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.13
Rot. Bonds9

About 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide

3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 2380112) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID2380112
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(Nc2ccc(OC)cc2)(Nc2ccc(OC)cc2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3N3O4/c1-32-19-10-4-16(5-11-19)28-22(31)23(24(25,26)27,29-17-6-12-20(33-2)13-7-17)30-18-8-14-21(34-3)15-9-18/h4-15,29-30H,1-3H3,(H,28,31)
InChIKeyFZHNMLLJTVWAEJ-UHFFFAOYSA-N
XLogP5.13
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide
CID 2305407
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
(1R)-1-chloro-2,2,2-trifluoro-1-(4-methoxyanilino)ethanol
CID 124638592
methyl (2S)-2-anilino-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate
CID 40842222
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide (CID 2380112) is 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(Nc2ccc(OC)cc2)(Nc2ccc(OC)cc2)C(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is FZHNMLLJTVWAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-32-19-10-4-16(5-11-19)28-22(31)23(24(25,26)27,29-17-6-12-20(33-2)13-7-17)30-18-8-14-21(34-3)15-9-18/h4-15,29-30H,1-3H3,(H,28,31).
What are the key properties of 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide?
3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 475.47 g/mol, XLogP of 5.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2380112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).