1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea

C15H21ClN2O — CID 47133576

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,19)
InChIKeyMUAGCIPCZKKGQA-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.72
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea

1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea (PubChem CID 47133576) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
PubChem CID47133576
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,19)
InChIKeyMUAGCIPCZKKGQA-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 108884452
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579280
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579279
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
1-[(4-chlorophenyl)methyl]-3-(6-methylspiro[3.3]heptan-2-yl)urea
CID 170378931
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-(2-methylcyclopentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 86962509
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)methylcarbamoylamino]acetamide
CID 119610394
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea (CID 47133576) is 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea?
The InChIKey is MUAGCIPCZKKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-4-2-3-5-14(11)18-15(19)17-10-12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea has a molecular weight of 280.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 47133576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).