N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide

C34H32F4N2O2 — CID 4162787

IUPACN,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32F4N2O2/c35-33(36,31(41)39-23-21-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34(37,38)32(42)40-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,39,41)(H,40,42)
InChIKeyFODHHVITUOIARC-UHFFFAOYSA-N
MW576.63 g/mol
LogP6.93
Rot. Bonds13

About N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide

N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide (PubChem CID 4162787) has the molecular formula C34H32F4N2O2 and a molecular weight of 576.63 g/mol. Its IUPAC name is N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide.

Molecular Properties

Compound NameN,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
PubChem CID4162787
Molecular FormulaC34H32F4N2O2
Molecular Weight576.63 g/mol
Exact Mass576.24
IUPAC NameN,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32F4N2O2/c35-33(36,31(41)39-23-21-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34(37,38)32(42)40-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,39,41)(H,40,42)
InChIKeyFODHHVITUOIARC-UHFFFAOYSA-N
XLogP6.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
3,3-diphenylpropylurea;formic acid
CID 157477952
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
1-(3,3-diphenylpropyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
CID 2160649
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3,3-diphenylpropyl)-3-methylbut-2-enamide
CID 30707802
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide?
The IUPAC name of N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide (CID 4162787) is N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide.
What is the SMILES notation for N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide?
The canonical SMILES for N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide?
The InChIKey is FODHHVITUOIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F4N2O2/c35-33(36,31(41)39-23-21-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34(37,38)32(42)40-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,39,41)(H,40,42).
What are the key properties of N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide?
N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide has a molecular weight of 576.63 g/mol, XLogP of 6.93, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide is sourced from PubChem (CID 4162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).