4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide

C26H28BrCl2N3O2 — CID 11028157

IUPAC4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C26H28BrCl2N3O2/c1-34-25-19-8-3-2-7-18(19)21(27)17-20(25)26(33)30-11-4-5-12-31-13-15-32(16-14-31)23-10-6-9-22(28)24(23)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,30,33)
InChIKeyLGTFCCLATINIEE-UHFFFAOYSA-N
MW565.34 g/mol
LogP6.25
Rot. Bonds8

About 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide

4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide (PubChem CID 11028157) has the molecular formula C26H28BrCl2N3O2 and a molecular weight of 565.34 g/mol. Its IUPAC name is 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
PubChem CID11028157
Molecular FormulaC26H28BrCl2N3O2
Molecular Weight565.34 g/mol
Exact Mass563.07
IUPAC Name4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C26H28BrCl2N3O2/c1-34-25-19-8-3-2-7-18(19)21(27)17-20(25)26(33)30-11-4-5-12-31-13-15-32(16-14-31)23-10-6-9-22(28)24(23)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,30,33)
InChIKeyLGTFCCLATINIEE-UHFFFAOYSA-N
XLogP6.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.34
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide;ethane;pentane
CID 143050992
4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
CID 15232477
4-bromo-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
CID 15232475
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
CID 11678172
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 45279481
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide;hydrochloride
CID 45279569
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
(4-carbamoylnaphthalen-1-yl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate;hydrochloride
CID 127047318
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
CID 45278883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide (CID 11028157) is 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide?
The InChIKey is LGTFCCLATINIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrCl2N3O2/c1-34-25-19-8-3-2-7-18(19)21(27)17-20(25)26(33)30-11-4-5-12-31-13-15-32(16-14-31)23-10-6-9-22(28)24(23)29/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,30,33).
What are the key properties of 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide?
4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide has a molecular weight of 565.34 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 11028157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).