N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide

C28H26BrN3O — CID 11496999

IUPACN-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33)
InChIKeyBCYCHJAJECYNPU-UHFFFAOYSA-N
MW500.44 g/mol
LogP6.18
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide

N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide (PubChem CID 11496999) has the molecular formula C28H26BrN3O and a molecular weight of 500.44 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide
PubChem CID11496999
Molecular FormulaC28H26BrN3O
Molecular Weight500.44 g/mol
Exact Mass499.13
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33)
InChIKeyBCYCHJAJECYNPU-UHFFFAOYSA-N
XLogP6.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
CID 11584133
N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxochromene-3-carboxamide
CID 11699253
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506
2-(4-benzylpiperazin-1-yl)-5-bromophenol
CID 46737219
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
N-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)naphthalene-1-carboxamide
CID 167862401
N-[2-[(4-benzylpiperazin-1-yl)methyl]-5-bromophenyl]-4-indol-1-ylbenzamide
CID 166401452

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide (CID 11496999) is N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide is O=C(Nc1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide?
The InChIKey is BCYCHJAJECYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide has a molecular weight of 500.44 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11496999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).