N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide

C18H15ClFN3O3 — CID 24665788

IUPACN-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H15ClFN3O3/c19-12-3-6-14(18(26)23-8-7-21-16(24)10-23)15(9-12)22-17(25)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeySVOPOHMCHWPRAX-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.30
Rot. Bonds3

About N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide

N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide (PubChem CID 24665788) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
PubChem CID24665788
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C18H15ClFN3O3/c19-12-3-6-14(18(26)23-8-7-21-16(24)10-23)15(9-12)22-17(25)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeySVOPOHMCHWPRAX-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide (CID 24665788) is N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide is O=C1CN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CCN1.
What is the InChIKey of N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
The InChIKey is SVOPOHMCHWPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c19-12-3-6-14(18(26)23-8-7-21-16(24)10-23)15(9-12)22-17(25)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,24)(H,22,25).
What are the key properties of N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide?
N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide has a molecular weight of 375.79 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-oxopiperazine-1-carbonyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 24665788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).