1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea

C10H11FN2O — CID 108909659

IUPAC1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H11FN2O/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-7H,1H3,(H2,12,13,14)/b6-2+
InChIKeyNGPHXQLHNUSNGK-QHHAFSJGSA-N
MW194.21 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea

1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909659) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909659
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H11FN2O/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-7H,1H3,(H2,12,13,14)/b6-2+
InChIKeyNGPHXQLHNUSNGK-QHHAFSJGSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
CID 108909716
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
[2-(3-fluoroanilino)-2-oxoethyl] but-2-enoate
CID 5254570

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea (CID 108909659) is 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is NGPHXQLHNUSNGK-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-6-12-10(14)13-9-5-3-4-8(11)7-9/h2-7H,1H3,(H2,12,13,14)/b6-2+.
What are the key properties of 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea?
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 194.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).