methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate

C30H24F3NO3 — CID 69400035

IUPACmethyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24F3NO3/c1-37-28(35)19-27(24-11-7-21(8-12-24)20-5-3-2-4-6-20)34-29(36)25-13-9-22(10-14-25)23-15-17-26(18-16-23)30(31,32)33/h2-18,27H,19H2,1H3,(H,34,36)
InChIKeyWUYGMIDJZGNENN-UHFFFAOYSA-N
MW503.52 g/mol
LogP7.07
Rot. Bonds7

About methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate

methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate (PubChem CID 69400035) has the molecular formula C30H24F3NO3 and a molecular weight of 503.52 g/mol. Its IUPAC name is methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
PubChem CID69400035
Molecular FormulaC30H24F3NO3
Molecular Weight503.52 g/mol
Exact Mass503.17
IUPAC Namemethyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24F3NO3/c1-37-28(35)19-27(24-11-7-21(8-12-24)20-5-3-2-4-6-20)34-29(36)25-13-9-22(10-14-25)23-15-17-26(18-16-23)30(31,32)33/h2-18,27H,19H2,1H3,(H,34,36)
InChIKeyWUYGMIDJZGNENN-UHFFFAOYSA-N
XLogP7.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 24532609
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]-3-(4-phenylphenyl)propanoate
CID 146127175
3-[(4-phenylbenzoyl)amino]-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 87913293
methyl 3-[[2-(methylamino)acetyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 120705825
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate (CID 69400035) is methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate?
The InChIKey is WUYGMIDJZGNENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3NO3/c1-37-28(35)19-27(24-11-7-21(8-12-24)20-5-3-2-4-6-20)34-29(36)25-13-9-22(10-14-25)23-15-17-26(18-16-23)30(31,32)33/h2-18,27H,19H2,1H3,(H,34,36).
What are the key properties of methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate?
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate has a molecular weight of 503.52 g/mol, XLogP of 7.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate is sourced from PubChem (CID 69400035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).