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

C11H13FN2O — CID 108909716

IUPAC1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-2-6-13-11(15)14-8-9-4-3-5-10(12)7-9/h2-7H,8H2,1H3,(H2,13,14,15)/b6-2+
InChIKeyLIPMBDPBOLDRMT-QHHAFSJGSA-N
MW208.24 g/mol
LogP2.16
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea (PubChem CID 108909716) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
PubChem CID108909716
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-2-6-13-11(15)14-8-9-4-3-5-10(12)7-9/h2-7H,8H2,1H3,(H2,13,14,15)/b6-2+
InChIKeyLIPMBDPBOLDRMT-QHHAFSJGSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
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1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
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1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
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CID 108898501

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea (CID 108909716) is 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea?
The InChIKey is LIPMBDPBOLDRMT-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-6-13-11(15)14-8-9-4-3-5-10(12)7-9/h2-7H,8H2,1H3,(H2,13,14,15)/b6-2+.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea?
1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea has a molecular weight of 208.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).