2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

C19H19BrFNO3S — CID 55746367

IUPAC2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H19BrFNO3S/c20-16-6-3-4-14(10-16)12-26(24,25)13-19(23)22(17-8-9-17)11-15-5-1-2-7-18(15)21/h1-7,10,17H,8-9,11-13H2
InChIKeyDUAOMRVZTIAHEY-UHFFFAOYSA-N
MW440.33 g/mol
LogP3.69
Rot. Bonds7

About 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 55746367) has the molecular formula C19H19BrFNO3S and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID55746367
Molecular FormulaC19H19BrFNO3S
Molecular Weight440.33 g/mol
Exact Mass439.03
IUPAC Name2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H19BrFNO3S/c20-16-6-3-4-14(10-16)12-26(24,25)13-19(23)22(17-8-9-17)11-15-5-1-2-7-18(15)21/h1-7,10,17H,8-9,11-13H2
InChIKeyDUAOMRVZTIAHEY-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (CID 55746367) is 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)Cc1cccc(Br)c1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is DUAOMRVZTIAHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO3S/c20-16-6-3-4-14(10-16)12-26(24,25)13-19(23)22(17-8-9-17)11-15-5-1-2-7-18(15)21/h1-7,10,17H,8-9,11-13H2.
What are the key properties of 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 440.33 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfonyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 55746367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).