N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

C19H18F3N3O2 — CID 108949556

IUPACN-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(27)12-17(26)23-19-15(21)2-1-3-16(19)22/h1-7H,8-12H2,(H,23,26)
InChIKeyXFSMECBJTYIYPD-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.78
Rot. Bonds4

About N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108949556) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108949556
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C19H18F3N3O2/c20-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(27)12-17(26)23-19-15(21)2-1-3-16(19)22/h1-7H,8-12H2,(H,23,26)
InChIKeyXFSMECBJTYIYPD-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-3-oxopropanamide
CID 108945020
N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950547
N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949502
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950104
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (CID 108949556) is N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is O=C(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is XFSMECBJTYIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-13-4-6-14(7-5-13)24-8-10-25(11-9-24)18(27)12-17(26)23-19-15(21)2-1-3-16(19)22/h1-7H,8-12H2,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 377.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108949556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).