ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide

C21H26FN3O3 — CID 143250222

IUPACethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESCC.NC(=O)c1cccc(F)c1OCc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H20FN3O3.C2H6/c20-16-6-2-5-15(18(21)24)17(16)26-12-13-3-1-4-14(11-13)19(25)23-9-7-22-8-10-23;1-2/h1-6,11,22H,7-10,12H2,(H2,21,24);1-2H3
InChIKeyMPKFKIMKDUERKX-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.58
Rot. Bonds5

About ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide

ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (PubChem CID 143250222) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Nameethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
PubChem CID143250222
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Nameethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESCC.NC(=O)c1cccc(F)c1OCc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H20FN3O3.C2H6/c20-16-6-2-5-15(18(21)24)17(16)26-12-13-3-1-4-14(11-13)19(25)23-9-7-22-8-10-23;1-2/h1-6,11,22H,7-10,12H2,(H2,21,24);1-2H3
InChIKeyMPKFKIMKDUERKX-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
1-[[3-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146763
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide
CID 11640434

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (CID 143250222) is ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is CC.NC(=O)c1cccc(F)c1OCc1cccc(C(=O)N2CCNCC2)c1.
What is the InChIKey of ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is MPKFKIMKDUERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3.C2H6/c20-16-6-2-5-15(18(21)24)17(16)26-12-13-3-1-4-14(11-13)19(25)23-9-7-22-8-10-23;1-2/h1-6,11,22H,7-10,12H2,(H2,21,24);1-2H3.
What are the key properties of ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-2-[[3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 143250222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).