ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium

C19H24F2N3O2+ — CID 145297202

IUPACethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium
SMILESCC.[NH3+]CC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F
InChIInChI=1S/C17H17F2N3O2.C2H6/c18-14-4-2-1-3-12(14)11-5-6-15(19)13(9-11)17(24)22-8-7-21-16(23)10-20;1-2/h1-6,9H,7-8,10,20H2,(H,21,23)(H,22,24);1-2H3/p+1
InChIKeyZSUIWDKVTJLKAX-UHFFFAOYSA-O
MW364.42 g/mol
LogP1.75
Rot. Bonds6

About ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium

ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium (PubChem CID 145297202) has the molecular formula C19H24F2N3O2+ and a molecular weight of 364.42 g/mol. Its IUPAC name is ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium
PubChem CID145297202
Molecular FormulaC19H24F2N3O2+
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nameethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium
SMILESCC.[NH3+]CC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F
InChIInChI=1S/C17H17F2N3O2.C2H6/c18-14-4-2-1-3-12(14)11-5-6-15(19)13(9-11)17(24)22-8-7-21-16(23)10-20;1-2/h1-6,9H,7-8,10,20H2,(H,21,23)(H,22,24);1-2H3/p+1
InChIKeyZSUIWDKVTJLKAX-UHFFFAOYSA-O
XLogP1.75
TPSA85.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
CID 129048291
tert-butyl N-[(2S)-1-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 129047852
[3-[[4-(tert-butylamino)-1-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-1,4-dioxobutan-2-yl]amino]-3-oxopropyl]carbamic acid
CID 170356035
4-(2-fluorophenyl)phthalic acid
CID 71119653
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]-2-[3-(4-fluorophenyl)propanoylamino]-N'-[1-(trifluoromethyl)cyclopropyl]butanediamide
CID 129048290
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
[(2S)-4-amino-1-[[4-[2-fluoro-5-(2-fluorophenyl)phenyl]-4-oxobutyl]amino]-1,4-dioxobutan-2-yl]azanium;2,2,2-trifluoroacetic acid
CID 159696763
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium?
The IUPAC name of ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium (CID 145297202) is ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium is CC.[NH3+]CC(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F.
What is the InChIKey of ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium?
The InChIKey is ZSUIWDKVTJLKAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17F2N3O2.C2H6/c18-14-4-2-1-3-12(14)11-5-6-15(19)13(9-11)17(24)22-8-7-21-16(23)10-20;1-2/h1-6,9H,7-8,10,20H2,(H,21,23)(H,22,24);1-2H3/p+1.
What are the key properties of ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium?
ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium has a molecular weight of 364.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 145297202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).