1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

C15H21ClN2O2 — CID 111472842

IUPAC1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(O)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-5-6-14(13(16)7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20)
InChIKeyCKXIUCMKZUAUCD-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.32
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111472842) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111472842
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCC(O)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-5-6-14(13(16)7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20)
InChIKeyCKXIUCMKZUAUCD-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-(4-amino-2-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 108902549
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111472842) is 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1ccc(NC(=O)NCC2CCCC(O)C2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is CKXIUCMKZUAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-5-6-14(13(16)7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 296.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111472842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).