5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide

C14H18FN3O2 — CID 119424734

IUPAC5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyNYXVUVXSAFEABT-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.27
Rot. Bonds3

About 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide

5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide (PubChem CID 119424734) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
PubChem CID119424734
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C14H18FN3O2/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyNYXVUVXSAFEABT-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453672
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424450

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide (CID 119424734) is 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide is CC(=O)Nc1ccc(F)c(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide?
The InChIKey is NYXVUVXSAFEABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide?
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119424734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).