N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide

C18H18Cl2N6O4 — CID 139571782

IUPACN-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
SMILESN/C(=N\N=C(/N)NC(=O)COc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N6O4/c19-11-1-5-13(6-2-11)29-9-15(27)23-17(21)25-26-18(22)24-16(28)10-30-14-7-3-12(20)4-8-14/h1-8H,9-10H2,(H3,21,23,25,27)(H3,22,24,26,28)
InChIKeySLJLLXMEEDVIQN-UHFFFAOYSA-N
MW453.29 g/mol
LogP1.23
Rot. Bonds7

About N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide

N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 139571782) has the molecular formula C18H18Cl2N6O4 and a molecular weight of 453.29 g/mol. Its IUPAC name is N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
PubChem CID139571782
Molecular FormulaC18H18Cl2N6O4
Molecular Weight453.29 g/mol
Exact Mass452.08
IUPAC NameN-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide
SMILESN/C(=N\N=C(/N)NC(=O)COc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N6O4/c19-11-1-5-13(6-2-11)29-9-15(27)23-17(21)25-26-18(22)24-16(28)10-30-14-7-3-12(20)4-8-14/h1-8H,9-10H2,(H3,21,23,25,27)(H3,22,24,26,28)
InChIKeySLJLLXMEEDVIQN-UHFFFAOYSA-N
XLogP1.23
TPSA153.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.29
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide 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

2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2-(4-chlorophenoxy)acetamide
CID 21230853
2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
CID 18773797
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-(3-carbamothioylpentan-3-yl)-2-(4-chlorophenoxy)acetamide
CID 61120992

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide (CID 139571782) is N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide is N/C(=N\N=C(/N)NC(=O)COc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is SLJLLXMEEDVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O4/c19-11-1-5-13(6-2-11)29-9-15(27)23-17(21)25-26-18(22)24-16(28)10-30-14-7-3-12(20)4-8-14/h1-8H,9-10H2,(H3,21,23,25,27)(H3,22,24,26,28).
What are the key properties of N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide?
N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 453.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-[(E)-[amino-[[2-(4-chlorophenoxy)acetyl]amino]methylidene]amino]carbamimidoyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 139571782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).