(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide

C20H23BrFN3O — CID 95680010

IUPAC(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H23BrFN3O/c1-24-11-12-25(19(14-24)15-5-3-2-4-6-15)20(26)23-10-9-16-13-17(21)7-8-18(16)22/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyWAJCPYWPECGPDC-IBGZPJMESA-N
MW420.33 g/mol
LogP3.83
Rot. Bonds4

About (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide

(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 95680010) has the molecular formula C20H23BrFN3O and a molecular weight of 420.33 g/mol. Its IUPAC name is (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID95680010
Molecular FormulaC20H23BrFN3O
Molecular Weight420.33 g/mol
Exact Mass419.10
IUPAC Name(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H23BrFN3O/c1-24-11-12-25(19(14-24)15-5-3-2-4-6-15)20(26)23-10-9-16-13-17(21)7-8-18(16)22/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyWAJCPYWPECGPDC-IBGZPJMESA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623
ethyl 1-[2-(5-bromo-2-fluorophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48636711
2-(4-bromophenyl)-N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-4-methylpiperazine-1-carboxamide
CID 134584580
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95153820

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide (CID 95680010) is (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is WAJCPYWPECGPDC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23BrFN3O/c1-24-11-12-25(19(14-24)15-5-3-2-4-6-15)20(26)23-10-9-16-13-17(21)7-8-18(16)22/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 420.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 95680010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).