(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate

C15H15ClN4O3 — CID 155196042

IUPAC(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
SMILESC=N/C(=N\C=C(/C)N1CCC(=O)NC1=O)Oc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O3/c1-10(20-7-6-13(21)19-15(20)22)9-18-14(17-2)23-12-5-3-4-11(16)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,19,21,22)/b10-9+,18-14+
InChIKeyNTESGWQEZWXUTK-BFHPBESDSA-N
MW334.76 g/mol
LogP2.58
Rot. Bonds3

About (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate

(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate (PubChem CID 155196042) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate.

Molecular Properties

Compound Name(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
PubChem CID155196042
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate
SMILESC=N/C(=N\C=C(/C)N1CCC(=O)NC1=O)Oc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN4O3/c1-10(20-7-6-13(21)19-15(20)22)9-18-14(17-2)23-12-5-3-4-11(16)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,19,21,22)/b10-9+,18-14+
InChIKeyNTESGWQEZWXUTK-BFHPBESDSA-N
XLogP2.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate?
The IUPAC name of (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate (CID 155196042) is (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate.
What is the SMILES notation for (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate?
The canonical SMILES for (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate is C=N/C(=N\C=C(/C)N1CCC(=O)NC1=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate?
The InChIKey is NTESGWQEZWXUTK-BFHPBESDSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-10(20-7-6-13(21)19-15(20)22)9-18-14(17-2)23-12-5-3-4-11(16)8-12/h3-5,8-9H,2,6-7H2,1H3,(H,19,21,22)/b10-9+,18-14+.
What are the key properties of (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate?
(3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate has a molecular weight of 334.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) N'-[(E)-2-(2,4-dioxo-1,3-diazinan-1-yl)prop-1-enyl]-N-methylidenecarbamimidate is sourced from PubChem (CID 155196042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).