N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide

C14H14FNOS — CID 2991116

IUPACN-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C14H14FNOS/c1-10-6-7-11(18-10)8-9-14(17)16-13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIABGFGCHFSXSMN-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.77
Rot. Bonds4

About N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide

N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide (PubChem CID 2991116) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide
PubChem CID2991116
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC NameN-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2F)s1
InChIInChI=1S/C14H14FNOS/c1-10-6-7-11(18-10)8-9-14(17)16-13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyIABGFGCHFSXSMN-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide (CID 2991116) is N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccccc2F)s1.
What is the InChIKey of N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide?
The InChIKey is IABGFGCHFSXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10-6-7-11(18-10)8-9-14(17)16-13-5-3-2-4-12(13)15/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide?
N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 2991116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).