1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C14H19FN2O2 — CID 111472706

IUPAC1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-14(9-18)7-3-6-12(14)17-13(19)16-11-5-2-4-10(15)8-11/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H2,16,17,19)
InChIKeyBNONBQRQNTZXOV-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.50
Rot. Bonds3

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

1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111472706) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111472706
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O2/c1-14(9-18)7-3-6-12(14)17-13(19)16-11-5-2-4-10(15)8-11/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H2,16,17,19)
InChIKeyBNONBQRQNTZXOV-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 111473573
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505240
1-[2-(2,4-difluorophenoxy)ethyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506035
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111472706) is 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is BNONBQRQNTZXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(9-18)7-3-6-12(14)17-13(19)16-11-5-2-4-10(15)8-11/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 266.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111472706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).