[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea

C14H12Cl2N4O — CID 10019070

IUPAC[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Cl)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N4O/c15-10-2-1-3-12(7-10)19-13-5-4-11(16)6-9(13)8-18-20-14(17)21/h1-8,19H,(H3,17,20,21)/b18-8-
InChIKeyXCCAIRNOSMEAMY-LSCVHKIXSA-N
MW323.18 g/mol
LogP3.74
Rot. Bonds4

About [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea

[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea (PubChem CID 10019070) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea
PubChem CID10019070
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C\c1cc(Cl)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N4O/c15-10-2-1-3-12(7-10)19-13-5-4-11(16)6-9(13)8-18-20-14(17)21/h1-8,19H,(H3,17,20,21)/b18-8-
InChIKeyXCCAIRNOSMEAMY-LSCVHKIXSA-N
XLogP3.74
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea (CID 10019070) is [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea is NC(=O)N/N=C\c1cc(Cl)ccc1Nc1cccc(Cl)c1.
What is the InChIKey of [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea?
The InChIKey is XCCAIRNOSMEAMY-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-10-2-1-3-12(7-10)19-13-5-4-11(16)6-9(13)8-18-20-14(17)21/h1-8,19H,(H3,17,20,21)/b18-8-.
What are the key properties of [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea?
[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea has a molecular weight of 323.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea is sourced from PubChem (CID 10019070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).