3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide

C23H19ClFN3O2 — CID 138544107

IUPAC3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClFN3O2/c24-17-4-1-3-15(13-17)21(29)28-20-10-5-16(14-26-20)23(11-2-12-23)22(30)27-19-8-6-18(25)7-9-19/h1,3-10,13-14H,2,11-12H2,(H,27,30)(H,26,28,29)
InChIKeySJLTZLFAIZMGBS-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.19
Rot. Bonds5

About 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide

3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide (PubChem CID 138544107) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
PubChem CID138544107
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClFN3O2/c24-17-4-1-3-15(13-17)21(29)28-20-10-5-16(14-26-20)23(11-2-12-23)22(30)27-19-8-6-18(25)7-9-19/h1,3-10,13-14H,2,11-12H2,(H,27,30)(H,26,28,29)
InChIKeySJLTZLFAIZMGBS-UHFFFAOYSA-N
XLogP5.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide (CID 138544107) is 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide is O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide?
The InChIKey is SJLTZLFAIZMGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c24-17-4-1-3-15(13-17)21(29)28-20-10-5-16(14-26-20)23(11-2-12-23)22(30)27-19-8-6-18(25)7-9-19/h1,3-10,13-14H,2,11-12H2,(H,27,30)(H,26,28,29).
What are the key properties of 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide?
3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide has a molecular weight of 423.88 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 138544107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).