[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea

C18H19Cl2N3O3 — CID 3559416

IUPAC[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
SMILESCc1cc(OCCCOc2ccc(Cl)cc2C=NNC(N)=O)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c1-12-9-15(4-5-16(12)20)25-7-2-8-26-17-6-3-14(19)10-13(17)11-22-23-18(21)24/h3-6,9-11H,2,7-8H2,1H3,(H3,21,23,24)
InChIKeyWFRBJJIEEFCZCV-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.15
Rot. Bonds8

About [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea

[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea (PubChem CID 3559416) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
PubChem CID3559416
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
SMILESCc1cc(OCCCOc2ccc(Cl)cc2C=NNC(N)=O)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3/c1-12-9-15(4-5-16(12)20)25-7-2-8-26-17-6-3-14(19)10-13(17)11-22-23-18(21)24/h3-6,9-11H,2,7-8H2,1H3,(H3,21,23,24)
InChIKeyWFRBJJIEEFCZCV-UHFFFAOYSA-N
XLogP4.15
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea with MolForge

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Related Compounds

[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
ethyl N-[[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 5142623
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]urea
CID 168532706
1-[[5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylideneamino]-3-ethylthiourea
CID 2203820
N-[(E)-[5-chloro-2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 45146402
[(Z)-[5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 5347891
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 4692458

Frequently Asked Questions

What is the IUPAC name of [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea (CID 3559416) is [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea is Cc1cc(OCCCOc2ccc(Cl)cc2C=NNC(N)=O)ccc1Cl.
What is the InChIKey of [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea?
The InChIKey is WFRBJJIEEFCZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-12-9-15(4-5-16(12)20)25-7-2-8-26-17-6-3-14(19)10-13(17)11-22-23-18(21)24/h3-6,9-11H,2,7-8H2,1H3,(H3,21,23,24).
What are the key properties of [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea?
[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea has a molecular weight of 396.27 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 3559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).