N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide

C14H14BrFN2OS — CID 47461025

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc(Br)s2)cc1F
InChIInChI=1S/C14H14BrFN2OS/c1-18(2)12-5-3-9(7-11(12)16)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyXDIBRMKBUZQOEX-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.65
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide

N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide (PubChem CID 47461025) has the molecular formula C14H14BrFN2OS and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide
PubChem CID47461025
Molecular FormulaC14H14BrFN2OS
Molecular Weight357.25 g/mol
Exact Mass356.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc(Br)s2)cc1F
InChIInChI=1S/C14H14BrFN2OS/c1-18(2)12-5-3-9(7-11(12)16)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyXDIBRMKBUZQOEX-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide (CID 47461025) is N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide is CN(C)c1ccc(C(=O)NCc2ccc(Br)s2)cc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide?
The InChIKey is XDIBRMKBUZQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS/c1-18(2)12-5-3-9(7-11(12)16)14(19)17-8-10-4-6-13(15)20-10/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide?
N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide has a molecular weight of 357.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-(dimethylamino)-3-fluorobenzamide is sourced from PubChem (CID 47461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).