4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide

C19H19ClFN3O2 — CID 51250482

IUPAC4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c1-13(25)14-6-7-18(16(21)12-14)23-8-10-24(11-9-23)19(26)22-17-5-3-2-4-15(17)20/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyMQLZPXCRUDXGNT-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.04
Rot. Bonds3

About 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide

4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide (PubChem CID 51250482) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
PubChem CID51250482
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c1-13(25)14-6-7-18(16(21)12-14)23-8-10-24(11-9-23)19(26)22-17-5-3-2-4-15(17)20/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyMQLZPXCRUDXGNT-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 18120082
1-[4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 599707
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
methyl 2-[[4-(2,4-difluorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 113114335
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
1-[3-fluoro-4-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 112813678
4-(4-acetyl-2-fluorophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 17407851

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide (CID 51250482) is 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is MQLZPXCRUDXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-13(25)14-6-7-18(16(21)12-14)23-8-10-24(11-9-23)19(26)22-17-5-3-2-4-15(17)20/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-N-(2-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51250482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).