N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide

C22H25F3N2O4 — CID 171357084

IUPACN-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
SMILESO=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)21(30,31)20(29)26-15-7-2-1-6-10-19(28)27-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,30-31H,1-2,6-7,10,15H2,(H,26,29)(H,27,28)
InChIKeyALWAFPQKUFSFNP-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.60
Rot. Bonds10

About N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide

N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide (PubChem CID 171357084) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
PubChem CID171357084
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC NameN-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
SMILESO=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25F3N2O4/c23-22(24,25)21(30,31)20(29)26-15-7-2-1-6-10-19(28)27-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,30-31H,1-2,6-7,10,15H2,(H,26,29)(H,27,28)
InChIKeyALWAFPQKUFSFNP-UHFFFAOYSA-N
XLogP3.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
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CID 44460606
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4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The IUPAC name of N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide (CID 171357084) is N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide.
What is the SMILES notation for N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The canonical SMILES for N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide is O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
The InChIKey is ALWAFPQKUFSFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c23-22(24,25)21(30,31)20(29)26-15-7-2-1-6-10-19(28)27-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,30-31H,1-2,6-7,10,15H2,(H,26,29)(H,27,28).
What are the key properties of N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide?
N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide has a molecular weight of 438.45 g/mol, XLogP of 3.60, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide is sourced from PubChem (CID 171357084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).