2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

C14H18Cl3N3O — CID 108743657

IUPAC2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C14H18Cl3N3O/c1-19-6-8-20(9-7-19)10-11-2-4-12(5-3-11)18-13(21)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)
InChIKeyFFKGWLVZWASNGO-UHFFFAOYSA-N
MW350.68 g/mol
LogP2.74
Rot. Bonds3

About 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 108743657) has the molecular formula C14H18Cl3N3O and a molecular weight of 350.68 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID108743657
Molecular FormulaC14H18Cl3N3O
Molecular Weight350.68 g/mol
Exact Mass349.05
IUPAC Name2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCN1CCN(Cc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C14H18Cl3N3O/c1-19-6-8-20(9-7-19)10-11-2-4-12(5-3-11)18-13(21)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21)
InChIKeyFFKGWLVZWASNGO-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62836738
N-(2,2-dimethylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 112721064
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 108743738
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (CID 108743657) is 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is CN1CCN(Cc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1.
What is the InChIKey of 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is FFKGWLVZWASNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3N3O/c1-19-6-8-20(9-7-19)10-11-2-4-12(5-3-11)18-13(21)14(15,16)17/h2-5H,6-10H2,1H3,(H,18,21).
What are the key properties of 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 350.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 108743657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).