1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C14H18F2N2O2 — CID 111474343

IUPAC1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c1-14(8-19)7-3-6-11(14)18-13(20)17-10-5-2-4-9(15)12(10)16/h2,4-5,11,19H,3,6-8H2,1H3,(H2,17,18,20)
InChIKeyMJEUJHIJQZAPKY-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111474343) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111474343
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c1-14(8-19)7-3-6-11(14)18-13(20)17-10-5-2-4-9(15)12(10)16/h2,4-5,11,19H,3,6-8H2,1H3,(H2,17,18,20)
InChIKeyMJEUJHIJQZAPKY-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea with MolForge

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111840673
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111474343) is 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is MJEUJHIJQZAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(8-19)7-3-6-11(14)18-13(20)17-10-5-2-4-9(15)12(10)16/h2,4-5,11,19H,3,6-8H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 284.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111474343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).