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

C19H19ClFN3O2 — CID 38274940

IUPACN-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClFN3O2/c20-15-3-7-17(8-4-15)22-19(26)24-11-9-23(10-12-24)18(25)13-14-1-5-16(21)6-2-14/h1-8H,9-13H2,(H,22,26)
InChIKeyDBBXKKVUSZLOAF-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.40
Rot. Bonds3

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

N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide (PubChem CID 38274940) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
PubChem CID38274940
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC NameN-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClFN3O2/c20-15-3-7-17(8-4-15)22-19(26)24-11-9-23(10-12-24)18(25)13-14-1-5-16(21)6-2-14/h1-8H,9-13H2,(H,22,26)
InChIKeyDBBXKKVUSZLOAF-UHFFFAOYSA-N
XLogP3.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 46100709
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
(4-chlorophenyl)methyl N-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]phenyl]carbamate
CID 171824587

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide (CID 38274940) is N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide is O=C(Cc1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is DBBXKKVUSZLOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-15-3-7-17(8-4-15)22-19(26)24-11-9-23(10-12-24)18(25)13-14-1-5-16(21)6-2-14/h1-8H,9-13H2,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 38274940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).