1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea

C16H23ClN2O2 — CID 27870222

IUPAC1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
SMILESO=C(NCCCOC1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c17-13-7-9-14(10-8-13)19-16(20)18-11-4-12-21-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H2,18,19,20)
InChIKeyIYLXMIDVFDJTQQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea

1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea (PubChem CID 27870222) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
PubChem CID27870222
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
SMILESO=C(NCCCOC1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c17-13-7-9-14(10-8-13)19-16(20)18-11-4-12-21-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H2,18,19,20)
InChIKeyIYLXMIDVFDJTQQ-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
CID 48951773
4-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
1-(3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 92541837
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
1-(4-chlorophenyl)-3-undecylurea
CID 3711116

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea (CID 27870222) is 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea is O=C(NCCCOC1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea?
The InChIKey is IYLXMIDVFDJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-13-7-9-14(10-8-13)19-16(20)18-11-4-12-21-15-5-2-1-3-6-15/h7-10,15H,1-6,11-12H2,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea?
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea has a molecular weight of 310.82 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea is sourced from PubChem (CID 27870222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).