5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C13H6BrF3N2OS — CID 60705604

IUPAC5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C13H6BrF3N2OS/c14-11-4-3-10(21-11)12(20)19-9-2-1-7(6-18)5-8(9)13(15,16)17/h1-5H,(H,19,20)
InChIKeyZDHIHKXOJWXOIC-UHFFFAOYSA-N
MW375.17 g/mol
LogP4.65
Rot. Bonds2

About 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 60705604) has the molecular formula C13H6BrF3N2OS and a molecular weight of 375.17 g/mol. Its IUPAC name is 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID60705604
Molecular FormulaC13H6BrF3N2OS
Molecular Weight375.17 g/mol
Exact Mass373.93
IUPAC Name5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C13H6BrF3N2OS/c14-11-4-3-10(21-11)12(20)19-9-2-1-7(6-18)5-8(9)13(15,16)17/h1-5H,(H,19,20)
InChIKeyZDHIHKXOJWXOIC-UHFFFAOYSA-N
XLogP4.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688499
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 62353535
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
5-bromo-N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938680
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 60705604) is 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(F)(F)F)c1.
What is the InChIKey of 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZDHIHKXOJWXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2OS/c14-11-4-3-10(21-11)12(20)19-9-2-1-7(6-18)5-8(9)13(15,16)17/h1-5H,(H,19,20).
What are the key properties of 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 375.17 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60705604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).