N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide

C23H26F2N2O — CID 86058370

IUPACN-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide
SMILESCCC(CCCCCC(=O)NN=C(c1ccccc1)c1ccccc1)=C(F)F
InChIInChI=1S/C23H26F2N2O/c1-2-18(23(24)25)12-6-5-11-17-21(28)26-27-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-16H,2,5-6,11-12,17H2,1H3,(H,26,28)
InChIKeyUVUSMZUNMZZPGC-UHFFFAOYSA-N
MW384.47 g/mol
LogP6.07
Rot. Bonds10

About N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide

N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide (PubChem CID 86058370) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide
PubChem CID86058370
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC NameN-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide
SMILESCCC(CCCCCC(=O)NN=C(c1ccccc1)c1ccccc1)=C(F)F
InChIInChI=1S/C23H26F2N2O/c1-2-18(23(24)25)12-6-5-11-17-21(28)26-27-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-16H,2,5-6,11-12,17H2,1H3,(H,26,28)
InChIKeyUVUSMZUNMZZPGC-UHFFFAOYSA-N
XLogP6.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide
CID 162662972
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
methyl N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]carbamate
CID 60527308
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide?
The IUPAC name of N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide (CID 86058370) is N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide?
The canonical SMILES for N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide is CCC(CCCCCC(=O)NN=C(c1ccccc1)c1ccccc1)=C(F)F.
What is the InChIKey of N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide?
The InChIKey is UVUSMZUNMZZPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c1-2-18(23(24)25)12-6-5-11-17-21(28)26-27-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-16H,2,5-6,11-12,17H2,1H3,(H,26,28).
What are the key properties of N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide?
N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide has a molecular weight of 384.47 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide is sourced from PubChem (CID 86058370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).