N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide

C16H13F3N2O2 — CID 670678

IUPACN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-10-1-4-12(5-2-10)20-15(22)7-8-16(23)21-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyFDXLFJARXJXEBP-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.46
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide

N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide (PubChem CID 670678) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
PubChem CID670678
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-10-1-4-12(5-2-10)20-15(22)7-8-16(23)21-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyFDXLFJARXJXEBP-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
5-[3-(2,4-difluoroanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354363
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide (CID 670678) is N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide?
The InChIKey is FDXLFJARXJXEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-10-1-4-12(5-2-10)20-15(22)7-8-16(23)21-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide?
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide has a molecular weight of 322.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide is sourced from PubChem (CID 670678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).