1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea

C19H21FN2O — CID 143736831

IUPAC1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c20-17-8-4-5-9-18(17)22-19(23)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,21,22,23)
InChIKeySIRULLHMGGEYFH-UHFFFAOYSA-N
MW312.39 g/mol
LogP5.52
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea

1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea (PubChem CID 143736831) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
PubChem CID143736831
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O/c20-17-8-4-5-9-18(17)22-19(23)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,21,22,23)
InChIKeySIRULLHMGGEYFH-UHFFFAOYSA-N
XLogP5.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
N-(4-cyclohexylphenyl)benzamide
CID 10333838
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
(4-cyclopentylphenyl)urea
CID 130193151
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
CID 143736806
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
1-(2-fluorophenyl)-3-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
CID 91889162
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea (CID 143736831) is 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea is O=C(Nc1ccc(C2CCCCC2)cc1)Nc1ccccc1F.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea?
The InChIKey is SIRULLHMGGEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-8-4-5-9-18(17)22-19(23)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,21,22,23).
What are the key properties of 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea?
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea has a molecular weight of 312.39 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 143736831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).