N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide

C19H20ClN3O2 — CID 2994878

IUPACN-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19(25)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyKYVIJNXKFUSODJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.26
Rot. Bonds3

About N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide

N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 2994878) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID2994878
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19(25)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyKYVIJNXKFUSODJ-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
3-chloro-N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 4238469
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2963777
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3917677
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 3351532
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide (CID 2994878) is N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is KYVIJNXKFUSODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(24)21-17-6-8-18(9-7-17)22-10-12-23(13-11-22)19(25)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide?
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 2994878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).