[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

C19H23F2N2O4+ — CID 9196740

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)c1OC
InChIInChI=1S/C19H22F2N2O4/c1-23(11-13-5-4-6-16(25-2)18(13)26-3)12-17(24)22-14-7-9-15(10-8-14)27-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1
InChIKeyZPBNXZQSFJURJK-UHFFFAOYSA-O
MW381.40 g/mol
LogP1.96
Rot. Bonds9

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 9196740) has the molecular formula C19H23F2N2O4+ and a molecular weight of 381.40 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
PubChem CID9196740
Molecular FormulaC19H23F2N2O4+
Molecular Weight381.40 g/mol
Exact Mass381.16
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)c1OC
InChIInChI=1S/C19H22F2N2O4/c1-23(11-13-5-4-6-16(25-2)18(13)26-3)12-17(24)22-14-7-9-15(10-8-14)27-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1
InChIKeyZPBNXZQSFJURJK-UHFFFAOYSA-O
XLogP1.96
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2699286
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196538
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 8709121
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2699246
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 2512023
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium (CID 9196740) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)CC(=O)Nc2ccc(OC(F)F)cc2)c1OC.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is ZPBNXZQSFJURJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22F2N2O4/c1-23(11-13-5-4-6-16(25-2)18(13)26-3)12-17(24)22-14-7-9-15(10-8-14)27-19(20)21/h4-10,19H,11-12H2,1-3H3,(H,22,24)/p+1.
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 381.40 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).