1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea

C16H23FN2O2 — CID 111110057

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
SMILESCC1(CNC(=O)NCC(O)c2ccccc2F)CCCC1
InChIInChI=1S/C16H23FN2O2/c1-16(8-4-5-9-16)11-19-15(21)18-10-14(20)12-6-2-3-7-13(12)17/h2-3,6-7,14,20H,4-5,8-11H2,1H3,(H2,18,19,21)
InChIKeyCRVZTCFLRJWEKD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea (PubChem CID 111110057) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
PubChem CID111110057
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
SMILESCC1(CNC(=O)NCC(O)c2ccccc2F)CCCC1
InChIInChI=1S/C16H23FN2O2/c1-16(8-4-5-9-16)11-19-15(21)18-10-14(20)12-6-2-3-7-13(12)17/h2-3,6-7,14,20H,4-5,8-11H2,1H3,(H2,18,19,21)
InChIKeyCRVZTCFLRJWEKD-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107165971
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1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
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1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
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1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea (CID 111110057) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea is CC1(CNC(=O)NCC(O)c2ccccc2F)CCCC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea?
The InChIKey is CRVZTCFLRJWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(8-4-5-9-16)11-19-15(21)18-10-14(20)12-6-2-3-7-13(12)17/h2-3,6-7,14,20H,4-5,8-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea is sourced from PubChem (CID 111110057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).