2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide

C12H7Br2ClFNOS — CID 113237311

IUPAC2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H7Br2ClFNOS/c13-10-4-7(11(14)19-10)12(18)17-5-6-1-2-9(16)8(15)3-6/h1-4H,5H2,(H,17,18)
InChIKeyANFITQHWHJWHLB-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.00
Rot. Bonds3

About 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide

2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide (PubChem CID 113237311) has the molecular formula C12H7Br2ClFNOS and a molecular weight of 427.52 g/mol. Its IUPAC name is 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
PubChem CID113237311
Molecular FormulaC12H7Br2ClFNOS
Molecular Weight427.52 g/mol
Exact Mass424.83
IUPAC Name2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H7Br2ClFNOS/c13-10-4-7(11(14)19-10)12(18)17-5-6-1-2-9(16)8(15)3-6/h1-4H,5H2,(H,17,18)
InChIKeyANFITQHWHJWHLB-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
2,5-dibromo-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]thiophene-3-carboxamide
CID 107965172
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide (CID 113237311) is 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
The InChIKey is ANFITQHWHJWHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNOS/c13-10-4-7(11(14)19-10)12(18)17-5-6-1-2-9(16)8(15)3-6/h1-4H,5H2,(H,17,18).
What are the key properties of 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide?
2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(3-chloro-4-fluorophenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 113237311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).