5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

C20H23BrClN3O2 — CID 42266764

IUPAC5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C20H23BrClN3O2/c1-27-19-5-3-2-4-18(19)25-12-10-24(11-13-25)9-8-23-20(26)16-14-15(21)6-7-17(16)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyMKBCMRODGATBIK-UHFFFAOYSA-N
MW452.78 g/mol
LogP3.66
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266764) has the molecular formula C20H23BrClN3O2 and a molecular weight of 452.78 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266764
Molecular FormulaC20H23BrClN3O2
Molecular Weight452.78 g/mol
Exact Mass451.07
IUPAC Name5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C20H23BrClN3O2/c1-27-19-5-3-2-4-18(19)25-12-10-24(11-13-25)9-8-23-20(26)16-14-15(21)6-7-17(16)22/h2-7,14H,8-13H2,1H3,(H,23,26)
InChIKeyMKBCMRODGATBIK-UHFFFAOYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
N'-(2-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268915
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
5-[(3-bromophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 42266764) is 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is MKBCMRODGATBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClN3O2/c1-27-19-5-3-2-4-18(19)25-12-10-24(11-13-25)9-8-23-20(26)16-14-15(21)6-7-17(16)22/h2-7,14H,8-13H2,1H3,(H,23,26).
What are the key properties of 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 452.78 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).