2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide

C20H18F2N4O3 — CID 55765930

IUPAC2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)CCCNC(=O)c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O3/c1-12-24-19(26-29-12)15-5-2-3-6-17(15)25-18(27)7-4-10-23-20(28)14-9-8-13(21)11-16(14)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,28)(H,25,27)
InChIKeyKLTOKMCVFMKKCB-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.47
Rot. Bonds7

About 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide (PubChem CID 55765930) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide
PubChem CID55765930
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)CCCNC(=O)c2ccc(F)cc2F)no1
InChIInChI=1S/C20H18F2N4O3/c1-12-24-19(26-29-12)15-5-2-3-6-17(15)25-18(27)7-4-10-23-20(28)14-9-8-13(21)11-16(14)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,28)(H,25,27)
InChIKeyKLTOKMCVFMKKCB-UHFFFAOYSA-N
XLogP3.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[4-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 112831231
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide (CID 55765930) is 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide is Cc1nc(-c2ccccc2NC(=O)CCCNC(=O)c2ccc(F)cc2F)no1.
What is the InChIKey of 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide?
The InChIKey is KLTOKMCVFMKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12-24-19(26-29-12)15-5-2-3-6-17(15)25-18(27)7-4-10-23-20(28)14-9-8-13(21)11-16(14)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide has a molecular weight of 400.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55765930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).