2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide

C15H13ClF2N2O2S — CID 68935799

IUPAC2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide
SMILESCc1csc(F)c1N(C)C(=O)N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N2O2S/c1-8-7-23-13(18)12(8)19(2)15(22)20(3)14(21)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3
InChIKeyXTKZRNXNMNMDBC-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.32
Rot. Bonds2

About 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide

2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide (PubChem CID 68935799) has the molecular formula C15H13ClF2N2O2S and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide
PubChem CID68935799
Molecular FormulaC15H13ClF2N2O2S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Name2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide
SMILESCc1csc(F)c1N(C)C(=O)N(C)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N2O2S/c1-8-7-23-13(18)12(8)19(2)15(22)20(3)14(21)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3
InChIKeyXTKZRNXNMNMDBC-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide 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

N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
CID 14879197
5-[(2-chloro-6-fluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397655
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
2-[(2-chloro-6-fluorobenzoyl)-propylamino]acetic acid
CID 61011677
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
CID 134044870
2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 68936278
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620
[2-(dimethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 17426420
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007208
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide (CID 68935799) is 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide is Cc1csc(F)c1N(C)C(=O)N(C)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide?
The InChIKey is XTKZRNXNMNMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2S/c1-8-7-23-13(18)12(8)19(2)15(22)20(3)14(21)11-9(16)5-4-6-10(11)17/h4-7H,1-3H3.
What are the key properties of 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide?
2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide has a molecular weight of 358.80 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide is sourced from PubChem (CID 68935799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).