1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea

C13H16Cl2N2O2 — CID 103709987

IUPAC1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1CCCC1O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-4-10(15)6-11(5-9)17-13(19)16-7-8-2-1-3-12(8)18/h4-6,8,12,18H,1-3,7H2,(H2,16,17,19)
InChIKeyROIUKZLOGBRLJA-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.28
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea

1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea (PubChem CID 103709987) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
PubChem CID103709987
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1CCCC1O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-4-10(15)6-11(5-9)17-13(19)16-7-8-2-1-3-12(8)18/h4-6,8,12,18H,1-3,7H2,(H2,16,17,19)
InChIKeyROIUKZLOGBRLJA-UHFFFAOYSA-N
XLogP3.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992836
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-[[3-(aminomethyl)cyclohexyl]methyl]-3-(3,5-dichlorophenyl)urea;chloroethane
CID 142187477
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
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
1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea (CID 103709987) is 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea is O=C(NCC1CCCC1O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The InChIKey is ROIUKZLOGBRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-4-10(15)6-11(5-9)17-13(19)16-7-8-2-1-3-12(8)18/h4-6,8,12,18H,1-3,7H2,(H2,16,17,19).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea has a molecular weight of 303.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 103709987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).