2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide

C17H24ClFN4O2 — CID 78792829

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFN4O2/c1-2-6-20-17(25)21-16(24)12-23-9-7-22(8-10-23)11-13-14(18)4-3-5-15(13)19/h3-5H,2,6-12H2,1H3,(H2,20,21,24,25)
InChIKeyYBMOVDJCPWENFR-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 78792829) has the molecular formula C17H24ClFN4O2 and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID78792829
Molecular FormulaC17H24ClFN4O2
Molecular Weight370.86 g/mol
Exact Mass370.16
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H24ClFN4O2/c1-2-6-20-17(25)21-16(24)12-23-9-7-22(8-10-23)11-13-14(18)4-3-5-15(13)19/h3-5H,2,6-12H2,1H3,(H2,20,21,24,25)
InChIKeyYBMOVDJCPWENFR-UHFFFAOYSA-N
XLogP1.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 78808378
3-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46614906
N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 26569605
N-(propylcarbamoyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618064
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46699792
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 78788936
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 19329498

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide (CID 78792829) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is YBMOVDJCPWENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN4O2/c1-2-6-20-17(25)21-16(24)12-23-9-7-22(8-10-23)11-13-14(18)4-3-5-15(13)19/h3-5H,2,6-12H2,1H3,(H2,20,21,24,25).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 78792829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).