4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

C19H19F2NO3S — CID 86956089

IUPAC4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F2NO3S/c1-12-11-16(12)17(13-5-3-2-4-6-13)22-18(23)14-7-9-15(10-8-14)26(24,25)19(20)21/h2-10,12,16-17,19H,11H2,1H3,(H,22,23)
InChIKeyGRRXFHZXLWMIHV-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.81
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (PubChem CID 86956089) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
PubChem CID86956089
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C19H19F2NO3S/c1-12-11-16(12)17(13-5-3-2-4-6-13)22-18(23)14-7-9-15(10-8-14)26(24,25)19(20)21/h2-10,12,16-17,19H,11H2,1H3,(H,22,23)
InChIKeyGRRXFHZXLWMIHV-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
N-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86956162
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
3-methoxy-N-[(2-methylcyclopropyl)-phenylmethyl]-4-nitrobenzamide
CID 86956199
4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 60551422
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
(2S)-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 9292248

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (CID 86956089) is 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is CC1CC1C(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The InChIKey is GRRXFHZXLWMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-12-11-16(12)17(13-5-3-2-4-6-13)22-18(23)14-7-9-15(10-8-14)26(24,25)19(20)21/h2-10,12,16-17,19H,11H2,1H3,(H,22,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide has a molecular weight of 379.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is sourced from PubChem (CID 86956089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).