N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide

C18H18Br2ClN3O — CID 141151957

IUPACN-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(Cc2cccc(Br)c2Br)CC1
InChIInChI=1S/C18H18Br2ClN3O/c19-14-5-3-4-13(17(14)20)12-23-8-10-24(11-9-23)18(25)22-16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25)
InChIKeyGEDFHJOJAQFGRU-UHFFFAOYSA-N
MW487.62 g/mol
LogP5.21
Rot. Bonds3

About N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide

N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide (PubChem CID 141151957) has the molecular formula C18H18Br2ClN3O and a molecular weight of 487.62 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
PubChem CID141151957
Molecular FormulaC18H18Br2ClN3O
Molecular Weight487.62 g/mol
Exact Mass484.95
IUPAC NameN-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(Cc2cccc(Br)c2Br)CC1
InChIInChI=1S/C18H18Br2ClN3O/c19-14-5-3-4-13(17(14)20)12-23-8-10-24(11-9-23)18(25)22-16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25)
InChIKeyGEDFHJOJAQFGRU-UHFFFAOYSA-N
XLogP5.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
5-bromo-N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170835790
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 72920810
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide (CID 141151957) is N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(Cc2cccc(Br)c2Br)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is GEDFHJOJAQFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2ClN3O/c19-14-5-3-4-13(17(14)20)12-23-8-10-24(11-9-23)18(25)22-16-7-2-1-6-15(16)21/h1-7H,8-12H2,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 141151957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).