[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium

C18H20Cl2N3O2+ — CID 2699320

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)9-16(14)20)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25)/p+1
InChIKeyPUWUCZSNUNSXSE-UHFFFAOYSA-O
MW381.28 g/mol
LogP2.03
Rot. Bonds6

About [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium

[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium (PubChem CID 2699320) has the molecular formula C18H20Cl2N3O2+ and a molecular weight of 381.28 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
PubChem CID2699320
Molecular FormulaC18H20Cl2N3O2+
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)9-16(14)20)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25)/p+1
InChIKeyPUWUCZSNUNSXSE-UHFFFAOYSA-O
XLogP2.03
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2699246
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
(2,4-dichlorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196953
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
(2,4-dichlorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9196973
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium (CID 2699320) is [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium is C[NH+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium?
The InChIKey is PUWUCZSNUNSXSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-23(11-14-7-8-15(19)9-16(14)20)12-17(24)22-18(25)21-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H2,21,22,24,25)/p+1.
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium?
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium has a molecular weight of 381.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).