3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C17H12BrFN2OS — CID 55889351

IUPAC3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2OS/c18-15-8-10-23-16(15)17(22)21(11-13-3-1-2-9-20-13)14-6-4-12(19)5-7-14/h1-10H,11H2
InChIKeyNKTWHZFCDQOALD-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.89
Rot. Bonds4

About 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 55889351) has the molecular formula C17H12BrFN2OS and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID55889351
Molecular FormulaC17H12BrFN2OS
Molecular Weight391.27 g/mol
Exact Mass389.98
IUPAC Name3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2OS/c18-15-8-10-23-16(15)17(22)21(11-13-3-1-2-9-20-13)14-6-4-12(19)5-7-14/h1-10H,11H2
InChIKeyNKTWHZFCDQOALD-UHFFFAOYSA-N
XLogP4.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 51121562
3-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61244876
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122156566
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 55889095
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96543729
(6-bromo-2-pyridinyl)methyl-(4-fluorophenyl)carbamic acid
CID 87580144
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 55889863
N-[3-[4-fluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55888838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 55889351) is 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(c1sccc1Br)N(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NKTWHZFCDQOALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2OS/c18-15-8-10-23-16(15)17(22)21(11-13-3-1-2-9-20-13)14-6-4-12(19)5-7-14/h1-10H,11H2.
What are the key properties of 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55889351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).