[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea

C14H11ClFN3O — CID 168533832

IUPAC[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H11ClFN3O/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20)
InChIKeyWZYVAJIQUYCXGP-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.15
Rot. Bonds3

About [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea

[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea (PubChem CID 168533832) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
PubChem CID168533832
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C14H11ClFN3O/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20)
InChIKeyWZYVAJIQUYCXGP-UHFFFAOYSA-N
XLogP3.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

[[4-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
CID 168532494
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(3-chloro-5-fluoro-4-methoxyphenyl)methylideneamino]urea
CID 168532968
[[3-(3-fluoro-4-methoxyphenyl)phenyl]methylideneamino]urea
CID 168532493
2-N-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628160
[[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]methylideneamino]thiourea
CID 168535926
[(E)-benzylideneamino]urea
CID 6861419
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
CID 168531838

Frequently Asked Questions

What is the IUPAC name of [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea (CID 168533832) is [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea is NC(=O)NN=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea?
The InChIKey is WZYVAJIQUYCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c15-12-6-5-11(7-13(12)16)10-3-1-9(2-4-10)8-18-19-14(17)20/h1-8H,(H3,17,19,20).
What are the key properties of [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea?
[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea has a molecular weight of 291.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).