N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

C15H14ClFN2O2S — CID 18112188

IUPACN-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H14ClFN2O2S/c1-19(9-10-11(16)4-2-5-12(10)17)14(20)8-18-15(21)13-6-3-7-22-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyZVDPLODPIWLJHP-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.93
Rot. Bonds5

About N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18112188) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18112188
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H14ClFN2O2S/c1-19(9-10-11(16)4-2-5-12(10)17)14(20)8-18-15(21)13-6-3-7-22-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyZVDPLODPIWLJHP-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
4-(2-chloro-6-fluorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
CID 1488892
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 2464066
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 18112188) is N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZVDPLODPIWLJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c1-19(9-10-11(16)4-2-5-12(10)17)14(20)8-18-15(21)13-6-3-7-22-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18112188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).