4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C19H20F2N2OS — CID 55676837

IUPAC4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C19H20F2N2OS/c20-19(21)25-16-9-7-14(8-10-16)18(24)22-17-6-2-1-5-15(17)13-23-11-3-4-12-23/h1-2,5-10,19H,3-4,11-13H2,(H,22,24)
InChIKeyICIXWJHMSJCXPT-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.85
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide

4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 55676837) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID55676837
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CN1CCCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C19H20F2N2OS/c20-19(21)25-16-9-7-14(8-10-16)18(24)22-17-6-2-1-5-15(17)13-23-11-3-4-12-23/h1-2,5-10,19H,3-4,11-13H2,(H,22,24)
InChIKeyICIXWJHMSJCXPT-UHFFFAOYSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131894722
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
4-(difluoromethylsulfanyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829508
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106853302
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635716
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 75385005
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 55676837) is 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccccc1CN1CCCC1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is ICIXWJHMSJCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-19(21)25-16-9-7-14(8-10-16)18(24)22-17-6-2-1-5-15(17)13-23-11-3-4-12-23/h1-2,5-10,19H,3-4,11-13H2,(H,22,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55676837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).