3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide

C17H13ClFNOS — CID 31138609

IUPAC3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClFNOS/c1-20(10-11-6-2-4-8-13(11)19)17(21)16-15(18)12-7-3-5-9-14(12)22-16/h2-9H,10H2,1H3
InChIKeyGLKLXRFSXMAYID-UHFFFAOYSA-N
MW333.81 g/mol
LogP4.97
Rot. Bonds3

About 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 31138609) has the molecular formula C17H13ClFNOS and a molecular weight of 333.81 g/mol. Its IUPAC name is 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID31138609
Molecular FormulaC17H13ClFNOS
Molecular Weight333.81 g/mol
Exact Mass333.04
IUPAC Name3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClFNOS/c1-20(10-11-6-2-4-8-13(11)19)17(21)16-15(18)12-7-3-5-9-14(12)22-16/h2-9H,10H2,1H3
InChIKeyGLKLXRFSXMAYID-UHFFFAOYSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 19456514
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 34764036
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 1222512
3-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzothiophene-2-carboxamide
CID 22831160
3-chloro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 8643446
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
3-chloro-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 71888961
3-chloro-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 60537223
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 18273848
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 31138609) is 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide is CN(Cc1ccccc1F)C(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is GLKLXRFSXMAYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNOS/c1-20(10-11-6-2-4-8-13(11)19)17(21)16-15(18)12-7-3-5-9-14(12)22-16/h2-9H,10H2,1H3.
What are the key properties of 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 333.81 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31138609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).