N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide

C17H12F4N2O2 — CID 3648870

IUPACN,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
SMILESC=C(CC(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F4N2O2/c1-9(17(25)23-15-5-3-11(19)8-13(15)21)6-16(24)22-14-4-2-10(18)7-12(14)20/h2-5,7-8H,1,6H2,(H,22,24)(H,23,25)
InChIKeyIHEOJXHMBNVNAG-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.77
Rot. Bonds5

About N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide

N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide (PubChem CID 3648870) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
PubChem CID3648870
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC NameN,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
SMILESC=C(CC(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F4N2O2/c1-9(17(25)23-15-5-3-11(19)8-13(15)21)6-16(24)22-14-4-2-10(18)7-12(14)20/h2-5,7-8H,1,6H2,(H,22,24)(H,23,25)
InChIKeyIHEOJXHMBNVNAG-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-(2,4-difluorophenyl)hexanamide
CID 3484261
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide?
The IUPAC name of N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide (CID 3648870) is N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide.
What is the SMILES notation for N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide?
The canonical SMILES for N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide is C=C(CC(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide?
The InChIKey is IHEOJXHMBNVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c1-9(17(25)23-15-5-3-11(19)8-13(15)21)6-16(24)22-14-4-2-10(18)7-12(14)20/h2-5,7-8H,1,6H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide?
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide has a molecular weight of 352.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide is sourced from PubChem (CID 3648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).