4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide

C24H25BrClN3O2 — CID 15232477

IUPAC4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30)
InChIKeyMCSZDZVTMAGPMA-UHFFFAOYSA-N
MW502.84 g/mol
LogP4.82
Rot. Bonds6

About 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide

4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide (PubChem CID 15232477) has the molecular formula C24H25BrClN3O2 and a molecular weight of 502.84 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
PubChem CID15232477
Molecular FormulaC24H25BrClN3O2
Molecular Weight502.84 g/mol
Exact Mass501.08
IUPAC Name4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12
InChIInChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30)
InChIKeyMCSZDZVTMAGPMA-UHFFFAOYSA-N
XLogP4.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide
CID 11028157
4-bromo-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
CID 15232475
4-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide;ethane;pentane
CID 143050992
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide (CID 15232477) is 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide?
The InChIKey is MCSZDZVTMAGPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30).
What are the key properties of 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide?
4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide has a molecular weight of 502.84 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 15232477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).