2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

C16H11ClFNOS2 — CID 129354884

IUPAC2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFNOS2/c17-13-8-11(18)3-4-12(13)16(20)19-15(10-5-7-21-9-10)14-2-1-6-22-14/h1-9,15H,(H,19,20)/t15-/m0/s1
InChIKeyOPJNZNMHLQWAGY-HNNXBMFYSA-N
MW351.86 g/mol
LogP5.12
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (PubChem CID 129354884) has the molecular formula C16H11ClFNOS2 and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
PubChem CID129354884
Molecular FormulaC16H11ClFNOS2
Molecular Weight351.86 g/mol
Exact Mass351.00
IUPAC Name2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFNOS2/c17-13-8-11(18)3-4-12(13)16(20)19-15(10-5-7-21-9-10)14-2-1-6-22-14/h1-9,15H,(H,19,20)/t15-/m0/s1
InChIKeyOPJNZNMHLQWAGY-HNNXBMFYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
2-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 16931947
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 121021387
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 26193106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (CID 129354884) is 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The InChIKey is OPJNZNMHLQWAGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11ClFNOS2/c17-13-8-11(18)3-4-12(13)16(20)19-15(10-5-7-21-9-10)14-2-1-6-22-14/h1-9,15H,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide has a molecular weight of 351.86 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 129354884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).