4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide

C20H20ClN3O3 — CID 109046496

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)23-10-12-24(13-11-23)20(27)16-8-6-15(7-9-16)19(26)22-18-5-3-2-4-17(18)21/h2-9H,10-13H2,1H3,(H,22,26)
InChIKeyIXYAZHNAHJJEKZ-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide

4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide (PubChem CID 109046496) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
PubChem CID109046496
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)23-10-12-24(13-11-23)20(27)16-8-6-15(7-9-16)19(26)22-18-5-3-2-4-17(18)21/h2-9H,10-13H2,1H3,(H,22,26)
InChIKeyIXYAZHNAHJJEKZ-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047922
N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide (CID 109046496) is 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide is CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide?
The InChIKey is IXYAZHNAHJJEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-14(25)23-10-12-24(13-11-23)20(27)16-8-6-15(7-9-16)19(26)22-18-5-3-2-4-17(18)21/h2-9H,10-13H2,1H3,(H,22,26).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 109046496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).