N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide

C20H21Cl2N3O3 — CID 2238974

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C20H21Cl2N3O3/c1-13(26)24-7-9-25(10-8-24)18-6-4-3-5-17(18)23-20(27)15-11-14(21)12-16(22)19(15)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)
InChIKeySHBNTPFTMXPADG-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide (PubChem CID 2238974) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
PubChem CID2238974
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C20H21Cl2N3O3/c1-13(26)24-7-9-25(10-8-24)18-6-4-3-5-17(18)23-20(27)15-11-14(21)12-16(22)19(15)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)
InChIKeySHBNTPFTMXPADG-UHFFFAOYSA-N
XLogP3.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
1-(5-Chloro-2-methoxybenzoyl)-4-(3-chlorophenyl)piperazine
CID 1010103
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-2-methoxy-benzamide
CID 11774865
5-chloro-N-[4-(isobutyrylamino)phenyl]-2-methoxybenzamide
CID 888212
2-methoxy-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzamide hydrochloride
CID 2861859
5-chloro-N-ethyl-2-methoxy-N-phenylbenzamide
CID 670148
5-chloro-N-[4-(diethylamino)phenyl]-2-methoxybenzamide
CID 875498
N-[4-(acetylamino)phenyl]-5-chloro-2-methoxybenzamide
CID 884618
5-chloro-2-methoxy-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 2196445
5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687423

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide (CID 2238974) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The InChIKey is SHBNTPFTMXPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-13(26)24-7-9-25(10-8-24)18-6-4-3-5-17(18)23-20(27)15-11-14(21)12-16(22)19(15)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3,5-dichloro-2-methoxybenzamide has a molecular weight of 422.31 g/mol, XLogP of 3.92, 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]-3,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 2238974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).