5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

C22H26ClN3O3 — CID 647132

IUPAC5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15(2)22(28)26-12-10-25(11-13-26)19-7-5-4-6-18(19)24-21(27)17-14-16(23)8-9-20(17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)
InChIKeyUAXUVSNTTCZVDW-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.91
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide

5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 647132) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID647132
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15(2)22(28)26-12-10-25(11-13-26)19-7-5-4-6-18(19)24-21(27)17-14-16(23)8-9-20(17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)
InChIKeyUAXUVSNTTCZVDW-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Clebopride
CID 2780
Nemonapride
CID 156333
Fluoroclebopride
CID 127887
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
CID 4452
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
YM-43611
CID 9802631
4-Amino-5-chloro-2-methoxy-N-(2-(1-piperidinyl)ethyl)benzamide
CID 203435
4-Amino-N-(8-benzoyl-8-aza-bicyclo[3.2.1]oct-3-yl)-5-chloro-2-methoxy-benzamide
CID 10069545
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
(2S,3S)-nemonapride
CID 9952220
4-Amino-N-((S)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide
CID 10570479
4-Amino-N-((R)-1-benzyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-benzamide
CID 44326285

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide (CID 647132) is 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is UAXUVSNTTCZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15(2)22(28)26-12-10-25(11-13-26)19-7-5-4-6-18(19)24-21(27)17-14-16(23)8-9-20(17)29-3/h4-9,14-15H,10-13H2,1-3H3,(H,24,27).
What are the key properties of 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide?
5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 647132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).