[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium

C18H21ClN3O3+ — CID 9136506

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyFWJVDYBGRNNGOO-UHFFFAOYSA-O
MW362.84 g/mol
LogP1.10
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium

[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium (PubChem CID 9136506) has the molecular formula C18H21ClN3O3+ and a molecular weight of 362.84 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
PubChem CID9136506
Molecular FormulaC18H21ClN3O3+
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1
InChIKeyFWJVDYBGRNNGOO-UHFFFAOYSA-O
XLogP1.10
TPSA85.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805336
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
(5-chloro-2-methoxyphenyl)methyl-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9136538
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
[2-(3-chloroanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550222
(5-chloro-2-methoxyphenyl)methyl-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 9137199
(5-chloro-2-methoxyphenyl)methyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9136576

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium (CID 9136506) is [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium is COc1ccc(Cl)cc1C[NH+](C)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium?
The InChIKey is FWJVDYBGRNNGOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(10-13-9-14(19)5-8-16(13)25-2)11-17(23)21-15-6-3-12(4-7-15)18(20)24/h3-9H,10-11H2,1-2H3,(H2,20,24)(H,21,23)/p+1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium?
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium has a molecular weight of 362.84 g/mol, XLogP of 1.10, 7 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]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9136506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).