(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium

C19H22FN2O3+ — CID 9251664

IUPAC(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccc(C)c(NC(=O)C[NH+](C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-13-4-7-15(19(24)25-3)10-17(13)21-18(23)12-22(2)11-14-5-8-16(20)9-6-14/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1
InChIKeyZPRMDPRCHIJNKE-UHFFFAOYSA-O
MW345.39 g/mol
LogP1.57
Rot. Bonds6

About (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium

(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9251664) has the molecular formula C19H22FN2O3+ and a molecular weight of 345.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID9251664
Molecular FormulaC19H22FN2O3+
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)c1ccc(C)c(NC(=O)C[NH+](C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-13-4-7-15(19(24)25-3)10-17(13)21-18(23)12-22(2)11-14-5-8-16(20)9-6-14/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1
InChIKeyZPRMDPRCHIJNKE-UHFFFAOYSA-O
XLogP1.57
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9252776
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588109
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]-methylazanium
CID 9303377
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054460
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024780
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252029
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
methyl 3-[[2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methylbenzoate
CID 27068035
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium (CID 9251664) is (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium is COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)Cc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is ZPRMDPRCHIJNKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN2O3/c1-13-4-7-15(19(24)25-3)10-17(13)21-18(23)12-22(2)11-14-5-8-16(20)9-6-14/h4-10H,11-12H2,1-3H3,(H,21,23)/p+1.
What are the key properties of (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium?
(4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 345.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).