1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide

C14H14FNOS — CID 171510220

IUPAC1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C14H14FNOS/c1-16(2)13(17)14(5-6-14)11-8-18-12-7-9(15)3-4-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyILUHGAKYUPHJQZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.16
Rot. Bonds2

About 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide

1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 171510220) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID171510220
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C14H14FNOS/c1-16(2)13(17)14(5-6-14)11-8-18-12-7-9(15)3-4-10(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyILUHGAKYUPHJQZ-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
cis-(1S,2R)-2-(aminomethyl)-1-(1-benzothiophen-3-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448468
cis-(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(5-fluoro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
CID 44448509
cis-(1R,2R)-2-(aminomethyl)-1-(1-benzothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448512
2-Benzo[b]thiophen-2-yl-N-hydroxy-N-methyl-propionamide
CID 10847360
2-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)acetamide
CID 342599
Benzo[b]thiophene-3-acetamide
CID 268631
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
2-(1-benzothiophen-4-yl)-N-methylacetamide
CID 149152256
1-(2-fluorophenyl)-N-methyl-N-(2-thienylmethyl)cyclopropanecarboxamide
CID 50970811
N-(sec-butyl)-1-(4-fluorophenyl)-N-(3-thienylmethyl)cyclopropanecarboxamide
CID 50975139
(1-(4-Fluorophenyl)cyclopropyl)(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71786901

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide (CID 171510220) is 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is ILUHGAKYUPHJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-16(2)13(17)14(5-6-14)11-8-18-12-7-9(15)3-4-10(11)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide?
1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 171510220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).