2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

C21H25Cl2N3O2 — CID 42273217

IUPAC2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-24-21(27)17-15-16(22)7-8-18(17)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
InChIKeyLTTWVAGVHTZYCB-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.94
Rot. Bonds7

About 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 42273217) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID42273217
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-24-21(27)17-15-16(22)7-8-18(17)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
InChIKeyLTTWVAGVHTZYCB-UHFFFAOYSA-N
XLogP3.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.94
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

5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (CID 42273217) is 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is COc1ccccc1N1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is LTTWVAGVHTZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-24-21(27)17-15-16(22)7-8-18(17)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27).
What are the key properties of 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 422.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 42273217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).