2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide

C19H19Cl2N3O2 — CID 19099435

IUPAC2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-13-18(25)22-15-7-5-14(6-8-15)19(26)24-11-9-23(10-12-24)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,25)
InChIKeyYJTDMRSTPYVWSX-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide

2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 19099435) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID19099435
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H19Cl2N3O2/c20-13-18(25)22-15-7-5-14(6-8-15)19(26)24-11-9-23(10-12-24)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,25)
InChIKeyYJTDMRSTPYVWSX-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.48
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

N-[4-[4-(3-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166411849
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 43009101
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
ethyl 4-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 1245050
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2963777
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
2-chloro-N-[4-[4-(2-chloroacetyl)piperazin-1-yl]phenyl]acetamide
CID 15341403
3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one
CID 42663413
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 19099435) is 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide is O=C(CCl)Nc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is YJTDMRSTPYVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-13-18(25)22-15-7-5-14(6-8-15)19(26)24-11-9-23(10-12-24)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,25).
What are the key properties of 2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide?
2-chloro-N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.48, 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-chlorophenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 19099435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).