N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide

C17H13ClFNOS — CID 9323454

IUPACN-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H13ClFNOS/c1-20(10-11-2-4-13(18)5-3-11)17(21)16-9-12-8-14(19)6-7-15(12)22-16/h2-9H,10H2,1H3
InChIKeyVMIMYBZIGHSPTD-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.97
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 9323454) has the molecular formula C17H13ClFNOS and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID9323454
Molecular FormulaC17H13ClFNOS
Molecular Weight333.82 g/mol
Exact Mass333.04
IUPAC NameN-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H13ClFNOS/c1-20(10-11-2-4-13(18)5-3-11)17(21)16-9-12-8-14(19)6-7-15(12)22-16/h2-9H,10H2,1H3
InChIKeyVMIMYBZIGHSPTD-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 ≤ 500333.82
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide (CID 9323454) is N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is VMIMYBZIGHSPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNOS/c1-20(10-11-2-4-13(18)5-3-11)17(21)16-9-12-8-14(19)6-7-15(12)22-16/h2-9H,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 333.82 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 N-[(4-chlorophenyl)methyl]-5-fluoro-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9323454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).