1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea

C11H13FN2O — CID 47171959

IUPAC1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8(6-9)7-13-11(15)14-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,13,14,15)
InChIKeyLHTZYVZKESKHEG-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.79
Rot. Bonds3

About 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea

1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea (PubChem CID 47171959) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
PubChem CID47171959
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-2-8(6-9)7-13-11(15)14-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,13,14,15)
InChIKeyLHTZYVZKESKHEG-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-3-[(3-fluorophenyl)methyl]urea
CID 175643754
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CID 91768630
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-cyclopentyl-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951170
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea (CID 47171959) is 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea is O=C(NCc1cccc(F)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is LHTZYVZKESKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-2-8(6-9)7-13-11(15)14-10-4-5-10/h1-3,6,10H,4-5,7H2,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea?
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 208.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 47171959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).