N,N'-bis(3,4-difluorophenyl)butanediamide

C16H12F4N2O2 — CID 896186

IUPACN,N'-bis(3,4-difluorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-3-1-9(7-13(11)19)21-15(23)5-6-16(24)22-10-2-4-12(18)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24)
InChIKeyWPDGJJVHXXIOFX-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.60
Rot. Bonds5

About N,N'-bis(3,4-difluorophenyl)butanediamide

N,N'-bis(3,4-difluorophenyl)butanediamide (PubChem CID 896186) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N,N'-bis(3,4-difluorophenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-difluorophenyl)butanediamide
PubChem CID896186
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN,N'-bis(3,4-difluorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-3-1-9(7-13(11)19)21-15(23)5-6-16(24)22-10-2-4-12(18)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24)
InChIKeyWPDGJJVHXXIOFX-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742166
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-difluorophenyl)butanediamide?
The IUPAC name of N,N'-bis(3,4-difluorophenyl)butanediamide (CID 896186) is N,N'-bis(3,4-difluorophenyl)butanediamide.
What is the SMILES notation for N,N'-bis(3,4-difluorophenyl)butanediamide?
The canonical SMILES for N,N'-bis(3,4-difluorophenyl)butanediamide is O=C(CCC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N,N'-bis(3,4-difluorophenyl)butanediamide?
The InChIKey is WPDGJJVHXXIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-11-3-1-9(7-13(11)19)21-15(23)5-6-16(24)22-10-2-4-12(18)14(20)8-10/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(3,4-difluorophenyl)butanediamide?
N,N'-bis(3,4-difluorophenyl)butanediamide has a molecular weight of 340.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-difluorophenyl)butanediamide is sourced from PubChem (CID 896186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).