N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride

C13H19Cl3N4O3 — CID 66686682

IUPACN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride
SMILESCCCOC(N)=O.Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O.C4H9NO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;1-2-3-7-4(5)6;/h1-3H,4H2,(H4,12,13,14,15);2-3H2,1H3,(H2,5,6);1H
InChIKeyPYLWHOTXTHTPJU-UHFFFAOYSA-N
MW385.68 g/mol
LogP2.25
Rot. Bonds4

About N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride

N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride (PubChem CID 66686682) has the molecular formula C13H19Cl3N4O3 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride
PubChem CID66686682
Molecular FormulaC13H19Cl3N4O3
Molecular Weight385.68 g/mol
Exact Mass384.05
IUPAC NameN-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride
SMILESCCCOC(N)=O.Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2N3O.C4H9NO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;1-2-3-7-4(5)6;/h1-3H,4H2,(H4,12,13,14,15);2-3H2,1H3,(H2,5,6);1H
InChIKeyPYLWHOTXTHTPJU-UHFFFAOYSA-N
XLogP2.25
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
benzyl carbamate;N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride
CID 66686195
2-(2-chloro-6-methylphenyl)-N-(diaminomethylidene)acetamide
CID 123209700
propyl carbamate;dihydrochloride
CID 87576214
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
phenol;propyl carbamate
CID 174701394
2-(2,6-dichlorophenyl)-N'-methoxyethanimidamide
CID 12728425
diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
CID 17435918
2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
CID 135405955
2-(2-chloro-6-methylphenyl)-N-(N'-ethylcarbamimidoyl)acetamide
CID 54505860
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
CID 19785916
(2,6-dichlorophenyl)methyl butanoate
CID 18398420

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride (CID 66686682) is N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride is CCCOC(N)=O.Cl.NC(N)=NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride?
The InChIKey is PYLWHOTXTHTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O.C4H9NO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;1-2-3-7-4(5)6;/h1-3H,4H2,(H4,12,13,14,15);2-3H2,1H3,(H2,5,6);1H.
What are the key properties of N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride?
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride has a molecular weight of 385.68 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;propyl carbamate;hydrochloride is sourced from PubChem (CID 66686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).