4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide

C18H19BrClN3O — CID 19293584

IUPAC4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H19BrClN3O/c19-17-4-2-1-3-14(17)13-22-9-11-23(12-10-22)18(24)21-16-7-5-15(20)6-8-16/h1-8H,9-13H2,(H,21,24)
InChIKeyKQEVTCNDMDJKMH-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.45
Rot. Bonds3

About 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide

4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide (PubChem CID 19293584) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
PubChem CID19293584
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H19BrClN3O/c19-17-4-2-1-3-14(17)13-22-9-11-23(12-10-22)18(24)21-16-7-5-15(20)6-8-16/h1-8H,9-13H2,(H,21,24)
InChIKeyKQEVTCNDMDJKMH-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-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
CID 141151957
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 171151135
N-(4-chlorophenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine-1-carboxamide
CID 17126963
methyl 4-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 17217880
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide (CID 19293584) is 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is KQEVTCNDMDJKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-17-4-2-1-3-14(17)13-22-9-11-23(12-10-22)18(24)21-16-7-5-15(20)6-8-16/h1-8H,9-13H2,(H,21,24).
What are the key properties of 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide?
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)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 4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 19293584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).