N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

C19H18ClFN2O2S — CID 156602058

IUPACN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2)c1cccs1
InChIInChI=1S/C19H18ClFN2O2S/c20-13-3-1-4-14(21)12(13)9-18(24)23-10-11-7-15(16(23)8-11)22-19(25)17-5-2-6-26-17/h1-6,11,15-16H,7-10H2,(H,22,25)
InChIKeyJDQWQTLQNSGQNK-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.50
Rot. Bonds4

About N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide (PubChem CID 156602058) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
PubChem CID156602058
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC NameN-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
SMILESO=C(NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2)c1cccs1
InChIInChI=1S/C19H18ClFN2O2S/c20-13-3-1-4-14(21)12(13)9-18(24)23-10-11-7-15(16(23)8-11)22-19(25)17-5-2-6-26-17/h1-6,11,15-16H,7-10H2,(H,22,25)
InChIKeyJDQWQTLQNSGQNK-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide (CID 156602058) is N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide is O=C(NC1CC2CC1N(C(=O)Cc1c(F)cccc1Cl)C2)c1cccs1.
What is the InChIKey of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
The InChIKey is JDQWQTLQNSGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S/c20-13-3-1-4-14(21)12(13)9-18(24)23-10-11-7-15(16(23)8-11)22-19(25)17-5-2-6-26-17/h1-6,11,15-16H,7-10H2,(H,22,25).
What are the key properties of N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide?
N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide has a molecular weight of 392.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloro-6-fluorophenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 156602058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).