4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide

C21H22ClN3O3 — CID 109046500

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1
InChIInChI=1S/C21H22ClN3O3/c1-14-3-8-18(22)13-19(14)23-20(27)16-4-6-17(7-5-16)21(28)25-11-9-24(10-12-25)15(2)26/h3-8,13H,9-12H2,1-2H3,(H,23,27)
InChIKeyIVYWMPPQWBMNRW-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.21
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide

4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 109046500) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID109046500
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1
InChIInChI=1S/C21H22ClN3O3/c1-14-3-8-18(22)13-19(14)23-20(27)16-4-6-17(7-5-16)21(28)25-11-9-24(10-12-25)15(2)26/h3-8,13H,9-12H2,1-2H3,(H,23,27)
InChIKeyIVYWMPPQWBMNRW-UHFFFAOYSA-N
XLogP3.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8502374

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide (CID 109046500) is 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide is CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is IVYWMPPQWBMNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-3-8-18(22)13-19(14)23-20(27)16-4-6-17(7-5-16)21(28)25-11-9-24(10-12-25)15(2)26/h3-8,13H,9-12H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide?
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.21, 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-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 109046500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).