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

C17H23ClN2O2 — CID 110901151

IUPAC1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22)
InChIKeyLDTAJTPVQWBQRM-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.32
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea (PubChem CID 110901151) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
PubChem CID110901151
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22)
InChIKeyLDTAJTPVQWBQRM-UHFFFAOYSA-N
XLogP3.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-chlorophenyl)methyl-cyclopropylcarbamoyl]amino]butanoic acid
CID 122021537
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
1-(cyclopropylmethyl)-3-(4-hydroxycyclohexyl)-1-[(4-hydroxyphenyl)methyl]urea
CID 111432806
4-[[cyclopropyl(naphthalen-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025022
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 113162681
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 52651235
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 86333617
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea (CID 110901151) is 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea is O=C(NC1CCC(O)CC1)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
The InChIKey is LDTAJTPVQWBQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-13-3-1-12(2-4-13)11-20(15-7-8-15)17(22)19-14-5-9-16(21)10-6-14/h1-4,14-16,21H,5-11H2,(H,19,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea?
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea has a molecular weight of 322.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110901151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).