2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide

C18H18F2N2O — CID 123493234

IUPAC2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide
SMILESCC(=NNC(=O)Cc1c(F)cccc1F)C(C)c1ccccc1
InChIInChI=1S/C18H18F2N2O/c1-12(14-7-4-3-5-8-14)13(2)21-22-18(23)11-15-16(19)9-6-10-17(15)20/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVAQQQHOWJNVNMJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.80
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide

2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide (PubChem CID 123493234) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide
PubChem CID123493234
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide
SMILESCC(=NNC(=O)Cc1c(F)cccc1F)C(C)c1ccccc1
InChIInChI=1S/C18H18F2N2O/c1-12(14-7-4-3-5-8-14)13(2)21-22-18(23)11-15-16(19)9-6-10-17(15)20/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVAQQQHOWJNVNMJ-UHFFFAOYSA-N
XLogP3.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
CID 114390036
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
CID 3516121
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
ethyl (2S,3E)-2-methyl-3-[(2-phenylacetyl)hydrazinylidene]butanoate
CID 40557193
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
(E)-2-[[2-(2,6-difluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120694231
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide (CID 123493234) is 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide is CC(=NNC(=O)Cc1c(F)cccc1F)C(C)c1ccccc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide?
The InChIKey is VAQQQHOWJNVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12(14-7-4-3-5-8-14)13(2)21-22-18(23)11-15-16(19)9-6-10-17(15)20/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide?
2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide has a molecular weight of 316.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(3-phenylbutan-2-ylideneamino)acetamide is sourced from PubChem (CID 123493234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).