1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea

C14H18F2N2O3 — CID 71992836

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1CCCC1O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O3/c15-13(16)21-11-6-4-10(5-7-11)18-14(20)17-8-9-2-1-3-12(9)19/h4-7,9,12-13,19H,1-3,8H2,(H2,17,18,20)
InChIKeyAFTKLEBDYFPOQQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea

1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea (PubChem CID 71992836) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
PubChem CID71992836
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1CCCC1O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O3/c15-13(16)21-11-6-4-10(5-7-11)18-14(20)17-8-9-2-1-3-12(9)19/h4-7,9,12-13,19H,1-3,8H2,(H2,17,18,20)
InChIKeyAFTKLEBDYFPOQQ-UHFFFAOYSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-(3-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 96517982
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[(1S,2R)-2-hydroxycyclohexyl]methyl]urea
CID 95635571
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea (CID 71992836) is 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea is O=C(NCC1CCCC1O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea?
The InChIKey is AFTKLEBDYFPOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c15-13(16)21-11-6-4-10(5-7-11)18-14(20)17-8-9-2-1-3-12(9)19/h4-7,9,12-13,19H,1-3,8H2,(H2,17,18,20).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea has a molecular weight of 300.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 71992836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).