N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide

C21H24ClN3O2 — CID 2997299

IUPACN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H24ClN3O2/c1-2-21(27)25-12-10-24(11-13-25)19-9-8-17(15-18(19)22)23-20(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,23,26)
InChIKeyPMNNGLJPDYAZHV-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.58
Rot. Bonds5

About N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide

N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 2997299) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
PubChem CID2997299
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H24ClN3O2/c1-2-21(27)25-12-10-24(11-13-25)19-9-8-17(15-18(19)22)23-20(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,23,26)
InChIKeyPMNNGLJPDYAZHV-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 979626
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3933059
2-(4-bromophenyl)-N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]acetamide
CID 43914365
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 3909607
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 4301255
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodobenzamide
CID 17317556
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 17109997
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 142663321
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 3161523

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide (CID 2997299) is N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide is CCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is PMNNGLJPDYAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-21(27)25-12-10-24(11-13-25)19-9-8-17(15-18(19)22)23-20(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H,23,26).
What are the key properties of N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide?
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 385.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 2997299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).