N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

C13H9ClF3NOS — CID 2546301

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NOS/c1-7-4-5-20-11(7)12(19)18-8-2-3-10(14)9(6-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyCNIWRFVUDQMVKF-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.98
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 2546301) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID2546301
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NOS/c1-7-4-5-20-11(7)12(19)18-8-2-3-10(14)9(6-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyCNIWRFVUDQMVKF-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 2546301) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is CNIWRFVUDQMVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-7-4-5-20-11(7)12(19)18-8-2-3-10(14)9(6-8)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2546301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).