2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

C19H21ClFN3O2 — CID 120735479

IUPAC2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1NCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-6-5-14(20)10-16(18)23-12-19(25)24-8-7-22-11-17(24)13-3-2-4-15(21)9-13/h2-6,9-10,17,22-23H,7-8,11-12H2,1H3
InChIKeyCBFNBXXSBPPJDR-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.07
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120735479) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120735479
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1NCC(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-6-5-14(20)10-16(18)23-12-19(25)24-8-7-22-11-17(24)13-3-2-4-15(21)9-13/h2-6,9-10,17,22-23H,7-8,11-12H2,1H3
InChIKeyCBFNBXXSBPPJDR-UHFFFAOYSA-N
XLogP3.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120737699
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone;hydrochloride
CID 120737341
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 120802618
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120802446
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
1-[2-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 120801978
[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (CID 120735479) is 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is COc1ccc(Cl)cc1NCC(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is CBFNBXXSBPPJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-26-18-6-5-14(20)10-16(18)23-12-19(25)24-8-7-22-11-17(24)13-3-2-4-15(21)9-13/h2-6,9-10,17,22-23H,7-8,11-12H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 377.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120735479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).