N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide

C21H23Cl2N3O2 — CID 86903584

IUPACN-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1C
InChIInChI=1S/C21H23Cl2N3O2/c1-14-6-7-16(12-19(14)24-15(2)27)21(28)26-10-8-25(9-11-26)13-17-4-3-5-18(22)20(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyZEBRVEHCUJBXQT-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.22
Rot. Bonds4

About N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide

N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide (PubChem CID 86903584) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
PubChem CID86903584
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1C
InChIInChI=1S/C21H23Cl2N3O2/c1-14-6-7-16(12-19(14)24-15(2)27)21(28)26-10-8-25(9-11-26)13-17-4-3-5-18(22)20(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,27)
InChIKeyZEBRVEHCUJBXQT-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
CID 129043182
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 87034454
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 86903654
6-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86903543
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903667
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
N-[5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 78875548

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide (CID 86903584) is N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1C.
What is the InChIKey of N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide?
The InChIKey is ZEBRVEHCUJBXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14-6-7-16(12-19(14)24-15(2)27)21(28)26-10-8-25(9-11-26)13-17-4-3-5-18(22)20(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,27).
What are the key properties of N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide?
N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide has a molecular weight of 420.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 86903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).