1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C16H16FNOS — CID 50970811

IUPAC1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H16FNOS/c1-18(11-12-5-4-10-20-12)15(19)16(8-9-16)13-6-2-3-7-14(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyCKWOKKCCWPTTKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 50970811) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID50970811
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H16FNOS/c1-18(11-12-5-4-10-20-12)15(19)16(8-9-16)13-6-2-3-7-14(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyCKWOKKCCWPTTKX-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 50970811) is 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1cccs1)C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is CKWOKKCCWPTTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-18(11-12-5-4-10-20-12)15(19)16(8-9-16)13-6-2-3-7-14(13)17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50970811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).