N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide

C18H13BrFNOS — CID 573771

IUPACN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H13BrFNOS/c19-14-5-3-13(4-6-14)12-21(16-9-7-15(20)8-10-16)18(22)17-2-1-11-23-17/h1-11H,12H2
InChIKeySDTMFEBMQJIFEJ-UHFFFAOYSA-N
MW390.28 g/mol
LogP5.50
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide

N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 573771) has the molecular formula C18H13BrFNOS and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID573771
Molecular FormulaC18H13BrFNOS
Molecular Weight390.28 g/mol
Exact Mass388.99
IUPAC NameN-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H13BrFNOS/c19-14-5-3-13(4-6-14)12-21(16-9-7-15(20)8-10-16)18(22)17-2-1-11-23-17/h1-11H,12H2
InChIKeySDTMFEBMQJIFEJ-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide 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-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 573771) is N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is SDTMFEBMQJIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNOS/c19-14-5-3-13(4-6-14)12-21(16-9-7-15(20)8-10-16)18(22)17-2-1-11-23-17/h1-11H,12H2.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 573771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).