2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide

C20H21ClFN3O2 — CID 17417314

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-16-5-4-6-17(22)14(16)12-19(26)24-18-8-7-13(11-15(18)20(23)27)25-9-2-1-3-10-25/h4-8,11H,1-3,9-10,12H2,(H2,23,27)(H,24,26)
InChIKeyCKIPTRVQVMFUMM-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.75
Rot. Bonds5

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide

2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 17417314) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID17417314
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFN3O2/c21-16-5-4-6-17(22)14(16)12-19(26)24-18-8-7-13(11-15(18)20(23)27)25-9-2-1-3-10-25/h4-8,11H,1-3,9-10,12H2,(H2,23,27)(H,24,26)
InChIKeyCKIPTRVQVMFUMM-UHFFFAOYSA-N
XLogP3.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide (CID 17417314) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide is NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is CKIPTRVQVMFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-5-4-6-17(22)14(16)12-19(26)24-18-8-7-13(11-15(18)20(23)27)25-9-2-1-3-10-25/h4-8,11H,1-3,9-10,12H2,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 389.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 17417314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).