3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide

C24H20ClFN2O2 — CID 138544339

IUPAC3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H20ClFN2O2/c25-18-4-1-3-16(15-18)22(29)27-20-9-5-17(6-10-20)24(13-2-14-24)23(30)28-21-11-7-19(26)8-12-21/h1,3-12,15H,2,13-14H2,(H,27,29)(H,28,30)
InChIKeyMPEDMZJUZYVLNG-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.79
Rot. Bonds5

About 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide (PubChem CID 138544339) has the molecular formula C24H20ClFN2O2 and a molecular weight of 422.89 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide
PubChem CID138544339
Molecular FormulaC24H20ClFN2O2
Molecular Weight422.89 g/mol
Exact Mass422.12
IUPAC Name3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H20ClFN2O2/c25-18-4-1-3-16(15-18)22(29)27-20-9-5-17(6-10-20)24(13-2-14-24)23(30)28-21-11-7-19(26)8-12-21/h1,3-12,15H,2,13-14H2,(H,27,29)(H,28,30)
InChIKeyMPEDMZJUZYVLNG-UHFFFAOYSA-N
XLogP5.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide (CID 138544339) is 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide?
The InChIKey is MPEDMZJUZYVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O2/c25-18-4-1-3-16(15-18)22(29)27-20-9-5-17(6-10-20)24(13-2-14-24)23(30)28-21-11-7-19(26)8-12-21/h1,3-12,15H,2,13-14H2,(H,27,29)(H,28,30).
What are the key properties of 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide has a molecular weight of 422.89 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 138544339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).