N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide

C16H16FNOS — CID 17404206

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H16FNOS/c1-10-9-13(10)16(19)18-15(14-3-2-8-20-14)11-4-6-12(17)7-5-11/h2-8,10,13,15H,9H2,1H3,(H,18,19)
InChIKeyFKASBOJEBLZWFT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 17404206) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID17404206
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C16H16FNOS/c1-10-9-13(10)16(19)18-15(14-3-2-8-20-14)11-4-6-12(17)7-5-11/h2-8,10,13,15H,9H2,1H3,(H,18,19)
InChIKeyFKASBOJEBLZWFT-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
(3S,4S)-1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120903
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
4-amino-N-[phenyl(thiophen-2-yl)methyl]oxolane-3-carboxamide
CID 66241228
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623450
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide (CID 17404206) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is FKASBOJEBLZWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-10-9-13(10)16(19)18-15(14-3-2-8-20-14)11-4-6-12(17)7-5-11/h2-8,10,13,15H,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 17404206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).