N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide

C18H19BrClN3O — CID 17377817

IUPACN-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19BrClN3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyMIKYHOBYHOQLFV-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.45
Rot. Bonds3

About N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide

N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 17377817) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID17377817
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC NameN-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19BrClN3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyMIKYHOBYHOQLFV-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
1-[(4-bromophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine;oxalic acid
CID 2873915
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
4-[(3-chlorophenyl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 55740139
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642632
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 1079402
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (CID 17377817) is N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MIKYHOBYHOQLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-15-4-6-17(7-5-15)21-18(24)23-10-8-22(9-11-23)13-14-2-1-3-16(20)12-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 408.73 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17377817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).