[(3-chloro-2,4-difluorophenyl)methylideneamino]urea

C8H6ClF2N3O — CID 168531838

IUPAC[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(F)c(Cl)c1F
InChIInChI=1S/C8H6ClF2N3O/c9-6-5(10)2-1-4(7(6)11)3-13-14-8(12)15/h1-3H,(H3,12,14,15)
InChIKeyKFUCQVWWQGKVOO-UHFFFAOYSA-N
MW233.60 g/mol
LogP1.62
Rot. Bonds2

About [(3-chloro-2,4-difluorophenyl)methylideneamino]urea

[(3-chloro-2,4-difluorophenyl)methylideneamino]urea (PubChem CID 168531838) has the molecular formula C8H6ClF2N3O and a molecular weight of 233.60 g/mol. Its IUPAC name is [(3-chloro-2,4-difluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
PubChem CID168531838
Molecular FormulaC8H6ClF2N3O
Molecular Weight233.60 g/mol
Exact Mass233.02
IUPAC Name[(3-chloro-2,4-difluorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(F)c(Cl)c1F
InChIInChI=1S/C8H6ClF2N3O/c9-6-5(10)2-1-4(7(6)11)3-13-14-8(12)15/h1-3H,(H3,12,14,15)
InChIKeyKFUCQVWWQGKVOO-UHFFFAOYSA-N
XLogP1.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[[2,4-difluoro-3-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533588
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[4-[(carbamoylhydrazinylidene)methyl]-2,3-difluorophenyl]boronic acid
CID 168531850
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688
[(6-bromo-2,3-difluorophenyl)methylideneamino]urea
CID 168531753
[[2,3-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533631
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
CID 176569325
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2,4-difluorophenyl)methylideneamino]urea?
The IUPAC name of [(3-chloro-2,4-difluorophenyl)methylideneamino]urea (CID 168531838) is [(3-chloro-2,4-difluorophenyl)methylideneamino]urea.
What is the SMILES notation for [(3-chloro-2,4-difluorophenyl)methylideneamino]urea?
The canonical SMILES for [(3-chloro-2,4-difluorophenyl)methylideneamino]urea is NC(=O)NN=Cc1ccc(F)c(Cl)c1F.
What is the InChIKey of [(3-chloro-2,4-difluorophenyl)methylideneamino]urea?
The InChIKey is KFUCQVWWQGKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3O/c9-6-5(10)2-1-4(7(6)11)3-13-14-8(12)15/h1-3H,(H3,12,14,15).
What are the key properties of [(3-chloro-2,4-difluorophenyl)methylideneamino]urea?
[(3-chloro-2,4-difluorophenyl)methylideneamino]urea has a molecular weight of 233.60 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-2,4-difluorophenyl)methylideneamino]urea is sourced from PubChem (CID 168531838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).