1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea

C15H16FN3O2 — CID 144837857

IUPAC1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
SMILESCCc1c(F)ccc(NC(=O)NN)c1/C=C/c1ccco1
InChIInChI=1S/C15H16FN3O2/c1-2-11-12(6-5-10-4-3-9-21-10)14(8-7-13(11)16)18-15(20)19-17/h3-9H,2,17H2,1H3,(H2,18,19,20)/b6-5+
InChIKeyQYISNOTXEKEDOU-AATRIKPKSA-N
MW289.31 g/mol
LogP3.15
Rot. Bonds4

About 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea

1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea (PubChem CID 144837857) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea.

Molecular Properties

Compound Name1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
PubChem CID144837857
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
SMILESCCc1c(F)ccc(NC(=O)NN)c1/C=C/c1ccco1
InChIInChI=1S/C15H16FN3O2/c1-2-11-12(6-5-10-4-3-9-21-10)14(8-7-13(11)16)18-15(20)19-17/h3-9H,2,17H2,1H3,(H2,18,19,20)/b6-5+
InChIKeyQYISNOTXEKEDOU-AATRIKPKSA-N
XLogP3.15
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-methyl-3-furoyl)hydrazinecarboxamide
CID 2954537
1-(3,4-dimethylphenyl)-3-[(E)-2-(furan-2-yl)ethenyl]urea
CID 5524102
(2E)-N-(3-ethylphenyl)-3-(2-furyl)prop-2-enamide
CID 898807
Hydrazinecarboxamide, N-(3-acetylphenyl)-2-(2-furanylmethylene)-
CID 9589202
2-(furan-2-ylcarbonyl)-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide
CID 970703
1,3-diamino-1-[3-cyclopropyl-5-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
CID 144837829
1,3-diamino-1-[3-ethyl-5-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
CID 144837856
1,3-diamino-1-[3-bromo-5-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea
CID 144837858
formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838244
1-amino-3-[3-methoxy-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]phenyl]urea
CID 144838302
3-ethyl-N-methyl-2-[(E)-2-[4-(trifluoromethyl)furan-2-yl]ethenyl]aniline;formohydrazide
CID 144838375
1-Amino-3-[3-cyclopropyl-5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]urea
CID 144838468

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea?
The IUPAC name of 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea (CID 144837857) is 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea.
What is the SMILES notation for 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea?
The canonical SMILES for 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea is CCc1c(F)ccc(NC(=O)NN)c1/C=C/c1ccco1.
What is the InChIKey of 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea?
The InChIKey is QYISNOTXEKEDOU-AATRIKPKSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-11-12(6-5-10-4-3-9-21-10)14(8-7-13(11)16)18-15(20)19-17/h3-9H,2,17H2,1H3,(H2,18,19,20)/b6-5+.
What are the key properties of 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea?
1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea has a molecular weight of 289.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-ethyl-4-fluoro-2-[(E)-2-(furan-2-yl)ethenyl]phenyl]urea is sourced from PubChem (CID 144837857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).