1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone

C15H15ClFNOS — CID 118678743

IUPAC1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone
SMILESCCN(CC(=O)c1ccc(Cl)s1)Cc1ccccc1F
InChIInChI=1S/C15H15ClFNOS/c1-2-18(9-11-5-3-4-6-12(11)17)10-13(19)14-7-8-15(16)20-14/h3-8H,2,9-10H2,1H3
InChIKeyCKPCCANSSVJNSL-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.25
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone (PubChem CID 118678743) has the molecular formula C15H15ClFNOS and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone
PubChem CID118678743
Molecular FormulaC15H15ClFNOS
Molecular Weight311.81 g/mol
Exact Mass311.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone
SMILESCCN(CC(=O)c1ccc(Cl)s1)Cc1ccccc1F
InChIInChI=1S/C15H15ClFNOS/c1-2-18(9-11-5-3-4-6-12(11)17)10-13(19)14-7-8-15(16)20-14/h3-8H,2,9-10H2,1H3
InChIKeyCKPCCANSSVJNSL-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone (CID 118678743) is 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone is CCN(CC(=O)c1ccc(Cl)s1)Cc1ccccc1F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone?
The InChIKey is CKPCCANSSVJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNOS/c1-2-18(9-11-5-3-4-6-12(11)17)10-13(19)14-7-8-15(16)20-14/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone has a molecular weight of 311.81 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[ethyl-[(2-fluorophenyl)methyl]amino]ethanone is sourced from PubChem (CID 118678743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).