N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

C22H25ClFN3O2 — CID 55682346

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O2/c1-15-19(23)4-3-5-20(15)25-22(29)16(2)26-10-12-27(13-11-26)21(28)14-17-6-8-18(24)9-7-17/h3-9,16H,10-14H2,1-2H3,(H,25,29)
InChIKeyOMCFIOPGRWVEGJ-UHFFFAOYSA-N
MW417.91 g/mol
LogP3.50
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 55682346) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID55682346
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O2/c1-15-19(23)4-3-5-20(15)25-22(29)16(2)26-10-12-27(13-11-26)21(28)14-17-6-8-18(24)9-7-17/h3-9,16H,10-14H2,1-2H3,(H,25,29)
InChIKeyOMCFIOPGRWVEGJ-UHFFFAOYSA-N
XLogP3.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563154
N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
CID 86879435
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444680
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46444743
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30724631
N-(3-chloro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949524
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 55682595

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (CID 55682346) is N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is OMCFIOPGRWVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c1-15-19(23)4-3-5-20(15)25-22(29)16(2)26-10-12-27(13-11-26)21(28)14-17-6-8-18(24)9-7-17/h3-9,16H,10-14H2,1-2H3,(H,25,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 417.91 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55682346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).