2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide

C14H17Cl2N3O2 — CID 15341403

IUPAC2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(N2CCN(C(=O)CCl)CC2)cc1
InChIInChI=1S/C14H17Cl2N3O2/c15-9-13(20)17-11-1-3-12(4-2-11)18-5-7-19(8-6-18)14(21)10-16/h1-4H,5-10H2,(H,17,20)
InChIKeyJQGJUWUKSFORDS-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.75
Rot. Bonds4

About 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide

2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 15341403) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
PubChem CID15341403
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(N2CCN(C(=O)CCl)CC2)cc1
InChIInChI=1S/C14H17Cl2N3O2/c15-9-13(20)17-11-1-3-12(4-2-11)18-5-7-19(8-6-18)14(21)10-16/h1-4H,5-10H2,(H,17,20)
InChIKeyJQGJUWUKSFORDS-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
2,2,2-trichloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 3818372
2-chloro-1-[4-(4-cyclohexylphenyl)piperazin-1-yl]ethanone
CID 4741331
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid
CID 18542397
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2,2,2-trichloroacetamide
CID 3807115
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide (CID 15341403) is 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide is O=C(CCl)Nc1ccc(N2CCN(C(=O)CCl)CC2)cc1.
What is the InChIKey of 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is JQGJUWUKSFORDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-9-13(20)17-11-1-3-12(4-2-11)18-5-7-19(8-6-18)14(21)10-16/h1-4H,5-10H2,(H,17,20).
What are the key properties of 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide?
2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 330.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 15341403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).