1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C17H23FN2O2 — CID 97077943

IUPAC1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c18-13-6-4-12(5-7-13)14-2-1-3-15(14)20-16(22)19-10-17(11-21)8-9-17/h4-7,14-15,21H,1-3,8-11H2,(H2,19,20,22)/t14-,15+/m1/s1
InChIKeyXNWGOIMPDYMZNM-CABCVRRESA-N
MW306.38 g/mol
LogP2.53
Rot. Bonds5

About 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 97077943) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID97077943
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c18-13-6-4-12(5-7-13)14-2-1-3-15(14)20-16(22)19-10-17(11-21)8-9-17/h4-7,14-15,21H,1-3,8-11H2,(H2,19,20,22)/t14-,15+/m1/s1
InChIKeyXNWGOIMPDYMZNM-CABCVRRESA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)cyclopentyl]-3-(3-hydroxypropyl)urea
CID 111507674
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
CID 97220209
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619079
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
(2S)-N-(cyclopropylcarbamoyl)-2-[[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]amino]propanamide
CID 124856355
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 97077943) is 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCC1(CO)CC1)N[C@H]1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is XNWGOIMPDYMZNM-CABCVRRESA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-13-6-4-12(5-7-13)14-2-1-3-15(14)20-16(22)19-10-17(11-21)8-9-17/h4-7,14-15,21H,1-3,8-11H2,(H2,19,20,22)/t14-,15+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 97077943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).