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

C12H10ClFN2OS — CID 22133034

IUPAC2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESNc1sc(Cl)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN2OS/c13-10-5-9(11(15)18-10)12(17)16-6-7-1-3-8(14)4-2-7/h1-5H,6,15H2,(H,16,17)
InChIKeyDKOYHSCBPHUHJB-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.05
Rot. Bonds3

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

2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide (PubChem CID 22133034) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide
PubChem CID22133034
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide
SMILESNc1sc(Cl)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H10ClFN2OS/c13-10-5-9(11(15)18-10)12(17)16-6-7-1-3-8(14)4-2-7/h1-5H,6,15H2,(H,16,17)
InChIKeyDKOYHSCBPHUHJB-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-4,5-bis(4-chlorophenyl)thiophene-3-carboxamide
CID 71657940
2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-(4-fluorophenyl)thiophene-3-carboxamide
CID 71658201
2-amino-N-benzyl-4-(4-chlorophenyl)-5-(4-fluorophenyl)thiophene-3-carboxamide
CID 71658333
2-amino-N-butyl-5-phenylthiophene-3-carboxamide
CID 53383638
2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide
CID 66551654
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 2804951
2-amino-N-benzylthiophene-3-carboxamide
CID 4470337
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 44443761
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-carboxamide
CID 44443775
N-[(2-chloro-6-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 44443776
N-(2-chloro-6-fluorobenzyl)thiophene-2-carboxamide
CID 44443778
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 44443780

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide (CID 22133034) is 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide is Nc1sc(Cl)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide?
The InChIKey is DKOYHSCBPHUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c13-10-5-9(11(15)18-10)12(17)16-6-7-1-3-8(14)4-2-7/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide?
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(4-fluorophenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 22133034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).