N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide

C20H22ClN3O3 — CID 3161434

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-9-11-24(12-10-23)18-6-4-3-5-17(18)22-20(26)15-7-8-19(27-2)16(21)13-15/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyWCKRXWIDWYQQOT-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide (PubChem CID 3161434) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
PubChem CID3161434
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-9-11-24(12-10-23)18-6-4-3-5-17(18)22-20(26)15-7-8-19(27-2)16(21)13-15/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyWCKRXWIDWYQQOT-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 17317446
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
3-chloro-4-methoxy-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3942245
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
3-chloro-4,5-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520153
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17117888

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide (CID 3161434) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide?
The InChIKey is WCKRXWIDWYQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14(25)23-9-11-24(12-10-23)18-6-4-3-5-17(18)22-20(26)15-7-8-19(27-2)16(21)13-15/h3-8,13H,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 3161434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).