2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide

C20H17F2N3O2S — CID 24648849

IUPAC2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C20H17F2N3O2S/c21-14-5-8-16(17(22)12-14)19(27)23-9-1-2-18(26)25-15-6-3-13(4-7-15)20-24-10-11-28-20/h3-8,10-12H,1-2,9H2,(H,23,27)(H,25,26)
InChIKeyQMQPUOWZTWCREV-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.24
Rot. Bonds7

About 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide

2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide (PubChem CID 24648849) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
PubChem CID24648849
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C20H17F2N3O2S/c21-14-5-8-16(17(22)12-14)19(27)23-9-1-2-18(26)25-15-6-3-13(4-7-15)20-24-10-11-28-20/h3-8,10-12H,1-2,9H2,(H,23,27)(H,25,26)
InChIKeyQMQPUOWZTWCREV-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
2,4-difluoro-N-[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butyl]benzamide
CID 29370798
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide (CID 24648849) is 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide?
The InChIKey is QMQPUOWZTWCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c21-14-5-8-16(17(22)12-14)19(27)23-9-1-2-18(26)25-15-6-3-13(4-7-15)20-24-10-11-28-20/h3-8,10-12H,1-2,9H2,(H,23,27)(H,25,26).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide is sourced from PubChem (CID 24648849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).