N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide

C12H8ClF2NOS — CID 32826575

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8ClF2NOS/c13-11-2-1-10(18-11)6-16-12(17)7-3-8(14)5-9(15)4-7/h1-5H,6H2,(H,16,17)
InChIKeyYRKUUPICMZULDK-UHFFFAOYSA-N
MW287.72 g/mol
LogP3.61
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide

N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide (PubChem CID 32826575) has the molecular formula C12H8ClF2NOS and a molecular weight of 287.72 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide
PubChem CID32826575
Molecular FormulaC12H8ClF2NOS
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1ccc(Cl)s1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8ClF2NOS/c13-11-2-1-10(18-11)6-16-12(17)7-3-8(14)5-9(15)4-7/h1-5H,6H2,(H,16,17)
InChIKeyYRKUUPICMZULDK-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide (CID 32826575) is N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide is O=C(NCc1ccc(Cl)s1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide?
The InChIKey is YRKUUPICMZULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NOS/c13-11-2-1-10(18-11)6-16-12(17)7-3-8(14)5-9(15)4-7/h1-5H,6H2,(H,16,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide has a molecular weight of 287.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 32826575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).