2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

C18H13F2NOS — CID 46601354

IUPAC2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1F
InChIInChI=1S/C18H13F2NOS/c19-13-9-7-12(8-10-13)17(16-6-3-11-23-16)21-18(22)14-4-1-2-5-15(14)20/h1-11,17H,(H,21,22)
InChIKeyNKYUNEFZAFWHBO-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.55
Rot. Bonds4

About 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 46601354) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID46601354
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC Name2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1F
InChIInChI=1S/C18H13F2NOS/c19-13-9-7-12(8-10-13)17(16-6-3-11-23-16)21-18(22)14-4-1-2-5-15(14)20/h1-11,17H,(H,21,22)
InChIKeyNKYUNEFZAFWHBO-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
CID 13075817
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46564820
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
2-fluoro-N-[(1S,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 27397145

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (CID 46601354) is 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is NKYUNEFZAFWHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-13-9-7-12(8-10-13)17(16-6-3-11-23-16)21-18(22)14-4-1-2-5-15(14)20/h1-11,17H,(H,21,22).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 329.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 46601354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).