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

C20H23ClN2O2 — CID 56541453

IUPAC3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1O)C1CCCCC1
InChIInChI=1S/C20H23ClN2O2/c21-16-10-12-17(13-11-16)22-20(25)23(18-7-2-1-3-8-18)14-15-6-4-5-9-19(15)24/h4-6,9-13,18,24H,1-3,7-8,14H2,(H,22,25)
InChIKeyVDFKWHTUZTVMOJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.41
Rot. Bonds4

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

3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea (PubChem CID 56541453) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
PubChem CID56541453
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1O)C1CCCCC1
InChIInChI=1S/C20H23ClN2O2/c21-16-10-12-17(13-11-16)22-20(25)23(18-7-2-1-3-8-18)14-15-6-4-5-9-19(15)24/h4-6,9-13,18,24H,1-3,7-8,14H2,(H,22,25)
InChIKeyVDFKWHTUZTVMOJ-UHFFFAOYSA-N
XLogP5.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 18883819
3-(4-butoxyphenyl)-1-cyclohexyl-1-[(2-fluorophenyl)methyl]urea
CID 17383973
3-(4-chlorophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4213584
1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631505
3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexylurea
CID 4541062
3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430768
3-(4-chlorophenyl)-1-cyclopentyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437412
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea (CID 56541453) is 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea is O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1O)C1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea?
The InChIKey is VDFKWHTUZTVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-16-10-12-17(13-11-16)22-20(25)23(18-7-2-1-3-8-18)14-15-6-4-5-9-19(15)24/h4-6,9-13,18,24H,1-3,7-8,14H2,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea?
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea has a molecular weight of 358.87 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 56541453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).