1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C15H13ClFN3O — CID 108906166

IUPAC1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H13ClFN3O/c16-13-9-12(4-5-14(13)18)20-15(21)19-7-6-10-2-1-3-11(17)8-10/h1-9H,18H2,(H2,19,20,21)/b7-6+
InChIKeyFKPVBGNBHMGDRA-VOTSOKGWSA-N
MW305.74 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906166) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906166
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H13ClFN3O/c16-13-9-12(4-5-14(13)18)20-15(21)19-7-6-10-2-1-3-11(17)8-10/h1-9H,18H2,(H2,19,20,21)/b7-6+
InChIKeyFKPVBGNBHMGDRA-VOTSOKGWSA-N
XLogP3.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906343
1-(4-amino-3-chlorophenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914663
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906166) is 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is Nc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is FKPVBGNBHMGDRA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-13-9-12(4-5-14(13)18)20-15(21)19-7-6-10-2-1-3-11(17)8-10/h1-9H,18H2,(H2,19,20,21)/b7-6+.
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 305.74 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).