N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

C15H16BrFN2OS — CID 9433735

IUPACN-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H16BrFN2OS/c1-10-5-6-21-14(10)8-19(2)9-15(20)18-13-4-3-11(16)7-12(13)17/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyISDBWAILASXMEH-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.03
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (PubChem CID 9433735) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
PubChem CID9433735
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H16BrFN2OS/c1-10-5-6-21-14(10)8-19(2)9-15(20)18-13-4-3-11(16)7-12(13)17/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyISDBWAILASXMEH-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide (CID 9433735) is N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is Cc1ccsc1CN(C)CC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
The InChIKey is ISDBWAILASXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-10-5-6-21-14(10)8-19(2)9-15(20)18-13-4-3-11(16)7-12(13)17/h3-7H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide has a molecular weight of 371.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9433735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).