[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

C18H20F2N3O3+ — CID 9023992

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H19F2N3O3/c1-23(10-12-2-8-15(9-3-12)26-18(19)20)11-16(24)22-14-6-4-13(5-7-14)17(21)25/h2-9,18H,10-11H2,1H3,(H2,21,25)(H,22,24)/p+1
InChIKeyWHRDEKWURGSFNN-UHFFFAOYSA-O
MW364.37 g/mol
LogP1.04
Rot. Bonds8

About [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (PubChem CID 9023992) has the molecular formula C18H20F2N3O3+ and a molecular weight of 364.37 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
PubChem CID9023992
Molecular FormulaC18H20F2N3O3+
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H19F2N3O3/c1-23(10-12-2-8-15(9-3-12)26-18(19)20)11-16(24)22-14-6-4-13(5-7-14)17(21)25/h2-9,18H,10-11H2,1H3,(H2,21,25)(H,22,24)/p+1
InChIKeyWHRDEKWURGSFNN-UHFFFAOYSA-O
XLogP1.04
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
(4-tert-butylphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 8018592
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8709316
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023440
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196740
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9023713

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (CID 9023992) is [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The InChIKey is WHRDEKWURGSFNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19F2N3O3/c1-23(10-12-2-8-15(9-3-12)26-18(19)20)11-16(24)22-14-6-4-13(5-7-14)17(21)25/h2-9,18H,10-11H2,1H3,(H2,21,25)(H,22,24)/p+1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium has a molecular weight of 364.37 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is sourced from PubChem (CID 9023992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).