1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea

C15H21FN2O2 — CID 47238706

IUPAC1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
SMILESCN(Cc1ccccc1F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21FN2O2/c1-18(10-11-4-2-3-5-14(11)16)15(20)17-12-6-8-13(19)9-7-12/h2-5,12-13,19H,6-10H2,1H3,(H,17,20)
InChIKeyIVLOKAMEWCQWFH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.27
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea

1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea (PubChem CID 47238706) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
PubChem CID47238706
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea
SMILESCN(Cc1ccccc1F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21FN2O2/c1-18(10-11-4-2-3-5-14(11)16)15(20)17-12-6-8-13(19)9-7-12/h2-5,12-13,19H,6-10H2,1H3,(H,17,20)
InChIKeyIVLOKAMEWCQWFH-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
CID 106593826
4-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025212
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
1-[(2-chlorophenyl)methyl]-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
CID 87003177

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea (CID 47238706) is 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea is CN(Cc1ccccc1F)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea?
The InChIKey is IVLOKAMEWCQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(10-11-4-2-3-5-14(11)16)15(20)17-12-6-8-13(19)9-7-12/h2-5,12-13,19H,6-10H2,1H3,(H,17,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea?
1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea has a molecular weight of 280.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)-1-methylurea is sourced from PubChem (CID 47238706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).