N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

C14H13ClFNO2S — CID 77090847

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-8-6-12(19-2)13(20-8)14(18)17-7-9-10(15)4-3-5-11(9)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyXEINWNFLKULCJG-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 77090847) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID77090847
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-8-6-12(19-2)13(20-8)14(18)17-7-9-10(15)4-3-5-11(9)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyXEINWNFLKULCJG-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
4-tert-butyl-N-[(2-chloro-6-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190403
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
N-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]benzamide
CID 10222591
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]-4-oxobutanoate
CID 94698209
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103528255

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 77090847) is N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is XEINWNFLKULCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-8-6-12(19-2)13(20-8)14(18)17-7-9-10(15)4-3-5-11(9)16/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 77090847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).