1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea

C14H10Cl2FN3O — CID 138975715

IUPAC1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN3O/c15-10-3-6-13(12(16)7-10)19-14(21)20-18-8-9-1-4-11(17)5-2-9/h1-8H,(H2,19,20,21)/b18-8+
InChIKeyNFOYSPQHAWXDMG-QGMBQPNBSA-N
MW326.16 g/mol
LogP4.29
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea

1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea (PubChem CID 138975715) has the molecular formula C14H10Cl2FN3O and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea
PubChem CID138975715
Molecular FormulaC14H10Cl2FN3O
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC Name1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN3O/c15-10-3-6-13(12(16)7-10)19-14(21)20-18-8-9-1-4-11(17)5-2-9/h1-8H,(H2,19,20,21)/b18-8+
InChIKeyNFOYSPQHAWXDMG-QGMBQPNBSA-N
XLogP4.29
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 54.29
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

(2E)-N-(2,4-dichlorophenyl)-2-(2-fluorobenzylidene)hydrazinecarbothioamide
CID 6884509
(2E)-N-(2,4-dichlorophenyl)-2-(4-fluorobenzylidene)hydrazinecarbothioamide
CID 6884746
1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea
CID 5332461
1-(2-chlorophenyl)-3-[(E)-(3-fluorophenyl)methylideneamino]thiourea
CID 6903351
1-(4-chlorophenyl)-3-[(E)-(3,4-difluorophenyl)methylideneamino]thiourea
CID 6903752
1-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-phenylurea
CID 5332259
4-chlorobenzaldehyde N-phenylsemicarbazone
CID 6862758
[(Z)-[5-chloro-2-(3-chloroanilino)phenyl]methylideneamino]urea
CID 10019070
1-(2-Chlorophenyl)-3-[(3-fluorophenyl)methylideneamino]thiourea
CID 2381106
6-Amino-5-benzyl-1-(2,4-dichlorophenyl)pyrimidin-2-one
CID 44413796
1-(3,5-dichlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155533860
1-(2-chlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155542425

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea (CID 138975715) is 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea is O=C(N/N=C/c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea?
The InChIKey is NFOYSPQHAWXDMG-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O/c15-10-3-6-13(12(16)7-10)19-14(21)20-18-8-9-1-4-11(17)5-2-9/h1-8H,(H2,19,20,21)/b18-8+.
What are the key properties of 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea?
1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea has a molecular weight of 326.16 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[(E)-(4-fluorophenyl)methylideneamino]urea is sourced from PubChem (CID 138975715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).