4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide

C26H26ClFN4O2 — CID 67538190

IUPAC4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H26ClFN4O2/c27-22-15-19(28)7-8-21(22)26(11-1-2-12-26)25(34)31-16-23(29)17-3-5-18(6-4-17)24(33)32-20-9-13-30-14-10-20/h3-10,13-15,23H,1-2,11-12,16,29H2,(H,31,34)(H,30,32,33)
InChIKeyPLXCDVVMITZBCJ-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.75
Rot. Bonds7

About 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67538190) has the molecular formula C26H26ClFN4O2 and a molecular weight of 480.97 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67538190
Molecular FormulaC26H26ClFN4O2
Molecular Weight480.97 g/mol
Exact Mass480.17
IUPAC Name4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H26ClFN4O2/c27-22-15-19(28)7-8-21(22)26(11-1-2-12-26)25(34)31-16-23(29)17-3-5-18(6-4-17)24(33)32-20-9-13-30-14-10-20/h3-10,13-15,23H,1-2,11-12,16,29H2,(H,31,34)(H,30,32,33)
InChIKeyPLXCDVVMITZBCJ-UHFFFAOYSA-N
XLogP4.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67538190) is 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide is NC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is PLXCDVVMITZBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O2/c27-22-15-19(28)7-8-21(22)26(11-1-2-12-26)25(34)31-16-23(29)17-3-5-18(6-4-17)24(33)32-20-9-13-30-14-10-20/h3-10,13-15,23H,1-2,11-12,16,29H2,(H,31,34)(H,30,32,33).
What are the key properties of 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 480.97 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67538190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).