1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea

C14H19ClN2O2 — CID 106124989

IUPAC1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCC(O)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-3,8,10,13,18H,4-7,9H2,(H2,16,17,19)
InChIKeyVKGYNCSIQJRJFT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.01
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea

1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea (PubChem CID 106124989) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
PubChem CID106124989
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCC(O)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-3,8,10,13,18H,4-7,9H2,(H2,16,17,19)
InChIKeyVKGYNCSIQJRJFT-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23609211
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966138
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea (CID 106124989) is 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea is O=C(NCC1CCC(O)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea?
The InChIKey is VKGYNCSIQJRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-3,8,10,13,18H,4-7,9H2,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea?
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea has a molecular weight of 282.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 106124989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).