2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide

C22H17F2N3OS — CID 25177208

IUPAC2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2cncn2C)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C22H17F2N3OS/c1-13-10-19(18-11-25-12-27(18)2)29-21(13)14-6-8-15(9-7-14)26-22(28)20-16(23)4-3-5-17(20)24/h3-12H,1-2H3,(H,26,28)
InChIKeyPFMMYUQTCWHNIT-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.65
Rot. Bonds4

About 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide

2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide (PubChem CID 25177208) has the molecular formula C22H17F2N3OS and a molecular weight of 409.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide
PubChem CID25177208
Molecular FormulaC22H17F2N3OS
Molecular Weight409.46 g/mol
Exact Mass409.11
IUPAC Name2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide
SMILESCc1cc(-c2cncn2C)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C22H17F2N3OS/c1-13-10-19(18-11-25-12-27(18)2)29-21(13)14-6-8-15(9-7-14)26-22(28)20-16(23)4-3-5-17(20)24/h3-12H,1-2H3,(H,26,28)
InChIKeyPFMMYUQTCWHNIT-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 59334276
2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
CID 59517951
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 45280753
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide (CID 25177208) is 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide is Cc1cc(-c2cncn2C)sc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is PFMMYUQTCWHNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3OS/c1-13-10-19(18-11-25-12-27(18)2)29-21(13)14-6-8-15(9-7-14)26-22(28)20-16(23)4-3-5-17(20)24/h3-12H,1-2H3,(H,26,28).
What are the key properties of 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide?
2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide has a molecular weight of 409.46 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 25177208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).