[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate

C30H21F6NO3 — CID 2314893

IUPAC[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate
SMILESO=C(OC(c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C30H21F6NO3/c31-29(32,33)28(30(34,35)36,40-27(39)22-14-8-3-9-15-22)23-16-18-24(19-17-23)37-26(38)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,37,38)
InChIKeyRDNAQXZGYRYQIG-UHFFFAOYSA-N
MW557.49 g/mol
LogP7.63
Rot. Bonds7

About [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate

[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate (PubChem CID 2314893) has the molecular formula C30H21F6NO3 and a molecular weight of 557.49 g/mol. Its IUPAC name is [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate.

Molecular Properties

Compound Name[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate
PubChem CID2314893
Molecular FormulaC30H21F6NO3
Molecular Weight557.49 g/mol
Exact Mass557.14
IUPAC Name[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate
SMILESO=C(OC(c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C30H21F6NO3/c31-29(32,33)28(30(34,35)36,40-27(39)22-14-8-3-9-15-22)23-16-18-24(19-17-23)37-26(38)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,37,38)
InChIKeyRDNAQXZGYRYQIG-UHFFFAOYSA-N
XLogP7.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.49
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
2-phenylpropan-2-yl 4-benzamidobenzoate
CID 58709253
3,5-bis[(2,2-diphenylacetyl)amino]benzoic acid
CID 2261290
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
[2-[4-[[4-(difluoromethoxy)benzoyl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-methoxybenzoate
CID 2337822
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
CID 25186226
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate?
The IUPAC name of [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate (CID 2314893) is [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate.
What is the SMILES notation for [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate?
The canonical SMILES for [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate is O=C(OC(c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate?
The InChIKey is RDNAQXZGYRYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F6NO3/c31-29(32,33)28(30(34,35)36,40-27(39)22-14-8-3-9-15-22)23-16-18-24(19-17-23)37-26(38)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,37,38).
What are the key properties of [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate?
[2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate has a molecular weight of 557.49 g/mol, XLogP of 7.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2,2-diphenylacetyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate is sourced from PubChem (CID 2314893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).