[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone

C20H23F2N3O2 — CID 134008336

IUPAC[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-2-24-11-13-25(14-12-24)19(26)17-5-3-4-6-18(17)23-15-7-9-16(10-8-15)27-20(21)22/h3-10,20,23H,2,11-14H2,1H3
InChIKeyMAYKVGUZELCNSX-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.81
Rot. Bonds6

About [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone

[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 134008336) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID134008336
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C20H23F2N3O2/c1-2-24-11-13-25(14-12-24)19(26)17-5-3-4-6-18(17)23-15-7-9-16(10-8-15)27-20(21)22/h3-10,20,23H,2,11-14H2,1H3
InChIKeyMAYKVGUZELCNSX-UHFFFAOYSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 56532436
[2-[4-(difluoromethoxy)anilino]phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95585620
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 134008336) is [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is MAYKVGUZELCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-2-24-11-13-25(14-12-24)19(26)17-5-3-4-6-18(17)23-15-7-9-16(10-8-15)27-20(21)22/h3-10,20,23H,2,11-14H2,1H3.
What are the key properties of [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 375.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 134008336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).