[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

C19H22ClFN3O3+ — CID 9025808

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyQJMMBEUZXQRCPH-UHFFFAOYSA-O
MW394.85 g/mol
LogP1.97
Rot. Bonds8

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9025808) has the molecular formula C19H22ClFN3O3+ and a molecular weight of 394.85 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9025808
Molecular FormulaC19H22ClFN3O3+
Molecular Weight394.85 g/mol
Exact Mass394.13
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyQJMMBEUZXQRCPH-UHFFFAOYSA-O
XLogP1.97
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9166865
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9025808) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is QJMMBEUZXQRCPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 394.85 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9025808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).