1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

C17H23FN2O2 — CID 111630928

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1CO)NC1CC1c1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-14-7-3-2-6-12(14)13-9-16(13)20-17(22)19-15-8-4-1-5-11(15)10-21/h2-3,6-7,11,13,15-16,21H,1,4-5,8-10H2,(H2,19,20,22)
InChIKeySXOLOJFOAKZUCX-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea

1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 111630928) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID111630928
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(NC1CCCCC1CO)NC1CC1c1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-14-7-3-2-6-12(14)13-9-16(13)20-17(22)19-15-8-4-1-5-11(15)10-21/h2-3,6-7,11,13,15-16,21H,1,4-5,8-10H2,(H2,19,20,22)
InChIKeySXOLOJFOAKZUCX-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857
1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435093
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
2-bromo-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361705
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 111630928) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(NC1CCCCC1CO)NC1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is SXOLOJFOAKZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-7-3-2-6-12(14)13-9-16(13)20-17(22)19-15-8-4-1-5-11(15)10-21/h2-3,6-7,11,13,15-16,21H,1,4-5,8-10H2,(H2,19,20,22).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 306.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 111630928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).