N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide

C21H24ClN3O2 — CID 3993483

IUPACN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
SMILESCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-3-20(26)25-12-10-24(11-13-25)19-9-8-17(22)14-18(19)23-21(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyJBEOUVLUSKSLOG-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.96
Rot. Bonds4

About N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide

N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide (PubChem CID 3993483) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
PubChem CID3993483
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
SMILESCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-3-20(26)25-12-10-24(11-13-25)19-9-8-17(22)14-18(19)23-21(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyJBEOUVLUSKSLOG-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 3526541
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 2971790
3-bromo-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 2975568
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 3619816
N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide
CID 7535503
(E)-N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 6155290
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 17066106
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319255
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
4-chloro-N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 2976557
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide (CID 3993483) is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide is CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide?
The InChIKey is JBEOUVLUSKSLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-20(26)25-12-10-24(11-13-25)19-9-8-17(22)14-18(19)23-21(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide?
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 3993483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).