2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

C18H14ClFN2OS — CID 91625659

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H14ClFN2OS/c19-15-2-1-3-16(20)14(15)9-18(23)22-10-12-4-6-21-17(8-12)13-5-7-24-11-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeyJVYAJRFIMLHDHA-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.46
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91625659) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
PubChem CID91625659
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C18H14ClFN2OS/c19-15-2-1-3-16(20)14(15)9-18(23)22-10-12-4-6-21-17(8-12)13-5-7-24-11-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeyJVYAJRFIMLHDHA-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
5-chloro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 91625615
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036787
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
3,5-ditert-butyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 121165766
3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 121165797
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (CID 91625659) is 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is JVYAJRFIMLHDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c19-15-2-1-3-16(20)14(15)9-18(23)22-10-12-4-6-21-17(8-12)13-5-7-24-11-13/h1-8,11H,9-10H2,(H,22,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).