N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

C21H24ClFN4O2 — CID 55626041

IUPACN-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C21H24ClFN4O2/c22-15-9-10-18(23)19(12-15)26-20(28)14-27-11-5-4-8-17(27)13-24-21(29)25-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,26,28)(H2,24,25,29)
InChIKeyWSMPJRXMLOBOIM-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.09
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 55626041) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
PubChem CID55626041
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CNC(=O)Nc1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C21H24ClFN4O2/c22-15-9-10-18(23)19(12-15)26-20(28)14-27-11-5-4-8-17(27)13-24-21(29)25-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,26,28)(H2,24,25,29)
InChIKeyWSMPJRXMLOBOIM-UHFFFAOYSA-N
XLogP4.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
N-(3-methylsulfonylphenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 42956011
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide (CID 55626041) is N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is O=C(CN1CCCCC1CNC(=O)Nc1ccccc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is WSMPJRXMLOBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c22-15-9-10-18(23)19(12-15)26-20(28)14-27-11-5-4-8-17(27)13-24-21(29)25-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2,(H,26,28)(H2,24,25,29).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 418.90 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 55626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).