N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

C27H25ClFN3O3 — CID 55841686

IUPACN-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1
InChIInChI=1S/C27H25ClFN3O3/c1-18(33)20-8-5-9-22(16-20)30-26(34)25(19-6-3-2-4-7-19)31-12-14-32(15-13-31)27(35)23-17-21(28)10-11-24(23)29/h2-11,16-17,25H,12-15H2,1H3,(H,30,34)
InChIKeyYWXYJENYCOQFBA-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.82
Rot. Bonds6

About N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 55841686) has the molecular formula C27H25ClFN3O3 and a molecular weight of 493.97 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID55841686
Molecular FormulaC27H25ClFN3O3
Molecular Weight493.97 g/mol
Exact Mass493.16
IUPAC NameN-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1
InChIInChI=1S/C27H25ClFN3O3/c1-18(33)20-8-5-9-22(16-20)30-26(34)25(19-6-3-2-4-7-19)31-12-14-32(15-13-31)27(35)23-17-21(28)10-11-24(23)29/h2-11,16-17,25H,12-15H2,1H3,(H,30,34)
InChIKeyYWXYJENYCOQFBA-UHFFFAOYSA-N
XLogP4.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 30172697
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 55544142
N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
CID 52916197
(2R)-N-(3-acetylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-2-phenylacetamide
CID 51881184
tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55842021
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (CID 55841686) is N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is CC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is YWXYJENYCOQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O3/c1-18(33)20-8-5-9-22(16-20)30-26(34)25(19-6-3-2-4-7-19)31-12-14-32(15-13-31)27(35)23-17-21(28)10-11-24(23)29/h2-11,16-17,25H,12-15H2,1H3,(H,30,34).
What are the key properties of N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 493.97 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 55841686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).