N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C19H18BrFN4O3 — CID 50832820

IUPACN-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)Nc1ccccc1F
InChIInChI=1S/C19H18BrFN4O3/c20-13-5-7-14(8-6-13)22-19(28)25-10-9-24(18(27)12-25)11-17(26)23-16-4-2-1-3-15(16)21/h1-8H,9-12H2,(H,22,28)(H,23,26)
InChIKeyPMGJCFMRWQHRBQ-UHFFFAOYSA-N
MW449.28 g/mol
LogP2.90
Rot. Bonds4

About N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 50832820) has the molecular formula C19H18BrFN4O3 and a molecular weight of 449.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID50832820
Molecular FormulaC19H18BrFN4O3
Molecular Weight449.28 g/mol
Exact Mass448.05
IUPAC NameN-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)Nc1ccccc1F
InChIInChI=1S/C19H18BrFN4O3/c20-13-5-7-14(8-6-13)22-19(28)25-10-9-24(18(27)12-25)11-17(26)23-16-4-2-1-3-15(16)21/h1-8H,9-12H2,(H,22,28)(H,23,26)
InChIKeyPMGJCFMRWQHRBQ-UHFFFAOYSA-N
XLogP2.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833001
N-(4-bromophenyl)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 93072599
N-(4-bromophenyl)-4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50833014
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 93072588
N-(4-bromophenyl)-4-[2-[butyl(methyl)amino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832959
3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 50831233
N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832822
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
N-(4-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831401
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 50832820) is N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)Nc1ccccc1F.
What is the InChIKey of N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is PMGJCFMRWQHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O3/c20-13-5-7-14(8-6-13)22-19(28)25-10-9-24(18(27)12-25)11-17(26)23-16-4-2-1-3-15(16)21/h1-8H,9-12H2,(H,22,28)(H,23,26).
What are the key properties of N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 449.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 50832820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).